**Note: a detailed explanation of each descriptor is available in the help documentation provided with the software.**

In this page you can find the complete list of molecular descriptors calculated by alvaDesc v1.0.x. Here you can find the list calculated by the latest version of alvaDesc.

Complete list of molecular descriptors calculated by alvaDesc v1.0.x:

- Constitutional indices
- Ring descriptors
- Topological indices
- Walk and path counts
- Connectivity indices
- Information indices
- 2D matrix-based descriptors
- 2D autocorrelations
- Burden eigenvalues
- P_VSA-like descriptors
- ETA indices
- Edge adjacency indices
- Geometrical descriptors
- 3D matrix-based descriptors
- 3D autocorrelations
- RDF descriptors
- 3D-MoRSE descriptors
- WHIM descriptors
- GETAWAY descriptors
- Randic molecular profiles
- Functional group counts
- Atom-centred fragments
- Atom-type E-state indices
- Pharmacophore descriptors
- 2D Atom Pairs
- 3D Atom Pairs
- Charge descriptors
- Molecular properties
- Drug-like indices
- CATS 3D descriptors

## Constitutional indices

No. | Name | Description |
---|---|---|

1 | MW | molecular weight |

2 | AMW | average molecular weight |

3 | Sv | sum of atomic van der Waals volumes (scaled on Carbon atom) |

4 | Se | sum of atomic Sanderson electronegativities (scaled on Carbon atom) |

5 | Sp | sum of atomic polarizabilities (scaled on Carbon atom) |

6 | Si | sum of first ionization potentials (scaled on Carbon atom) |

7 | Mv | mean atomic van der Waals volume (scaled on Carbon atom) |

8 | Me | mean atomic Sanderson electronegativity (scaled on Carbon atom) |

9 | Mp | mean atomic polarizability (scaled on Carbon atom) |

10 | Mi | mean first ionization potential (scaled on Carbon atom) |

11 | GD | graph density |

12 | nAT | number of atoms |

13 | nSK | number of non-H atoms |

14 | nTA | number of terminal atoms |

15 | nBT | number of bonds |

16 | nBO | number of non-H bonds |

17 | nBM | number of multiple bonds |

18 | SCBO | sum of conventional bond orders (H-depleted) |

19 | RBN | number of rotatable bonds |

20 | RBF | rotatable bond fraction |

21 | nDB | number of double bonds |

22 | nTB | number of triple bonds |

23 | nAB | number of aromatic bonds |

24 | nH | number of Hydrogen atoms |

25 | nC | number of Carbon atoms |

26 | nN | number of Nitrogen atoms |

27 | nO | number of Oxygen atoms |

28 | nP | number of Phosphorous atoms |

29 | nS | number of Sulfur atoms |

30 | nF | number of Fluorine atoms |

31 | nCL | number of Chlorine atoms |

32 | nBR | number of Bromine atoms |

33 | nI | number of Iodine atoms |

34 | nB | number of Boron atoms |

35 | nHM | number of heavy atoms |

36 | nHet | number of heteroatoms |

37 | nX | number of halogen atoms |

38 | H% | percentage of H atoms |

39 | C% | percentage of C atoms |

40 | N% | percentage of N atoms |

41 | O% | percentage of O atoms |

42 | X% | percentage of halogen atoms |

43 | nCsp3 | number of sp3 hybridized Carbon atoms |

44 | nCsp2 | number of sp2 hybridized Carbon atoms |

45 | nCsp | number of sp hybridized Carbon atoms |

46 | max_conj_path | maximum number of atoms that can be in conjugation with each other |

47 | nStructures | number of disconnected structures |

48 | totalcharge | total charge |

## Ring descriptors

No. | Name | Description |
---|---|---|

49 | nCIC | number of rings (cyclomatic number) |

50 | nCIR | number of circuits |

51 | TRS | total ring size |

52 | Rperim | ring perimeter |

53 | Rbrid | ring bridge count |

54 | MCD | molecular cyclized degree |

55 | RFD | ring fusion density |

56 | RCI | ring complexity index |

57 | NRS | number of ring systems |

58 | NNRS | normalized number of ring systems |

59 | nR03 | number of 3-membered rings |

60 | nR04 | number of 4-membered rings |

61 | nR05 | number of 5-membered rings |

62 | nR06 | number of 6-membered rings |

63 | nR07 | number of 7-membered rings |

64 | nR08 | number of 8-membered rings |

65 | nR09 | number of 9-membered rings |

66 | nR10 | number of 10-membered rings |

67 | nR11 | number of 11-membered rings |

68 | nR12 | number of 12-membered rings |

69 | nBnz | number of benzene-like rings |

70 | ARR | aromatic ratio |

71 | D/Dtr03 | distance/detour ring index of order 3 |

72 | D/Dtr04 | distance/detour ring index of order 4 |

73 | D/Dtr05 | distance/detour ring index of order 5 |

74 | D/Dtr06 | distance/detour ring index of order 6 |

75 | D/Dtr07 | distance/detour ring index of order 7 |

76 | D/Dtr08 | distance/detour ring index of order 8 |

77 | D/Dtr09 | distance/detour ring index of order 9 |

78 | D/Dtr10 | distance/detour ring index of order 10 |

79 | D/Dtr11 | distance/detour ring index of order 11 |

80 | D/Dtr12 | distance/detour ring index of order 12 |

## Topological indices

No. | Name | Description |
---|---|---|

81 | ZM1 | first Zagreb index |

82 | ZM1V | first Zagreb index by valence vertex degrees |

83 | ZM1Kup | first Zagreb index by Kupchik vertex degrees |

84 | ZM1Mad | first Zagreb index by Madan vertex degrees |

85 | ZM1Per | first Zagreb index by perturbation vertex degrees |

86 | ZM1MulPer | first Zagreb index by multiplicative perturbation vertex degrees |

87 | ZM2 | second Zagreb index |

88 | ZM2V | second Zagreb index by valence vertex degrees |

89 | ZM2Kup | second Zagreb index by Kupchik vertex degrees |

90 | ZM2Mad | second Zagreb index by Madan vertex degrees |

91 | ZM2Per | second Zagreb index by perturbation vertex degrees |

92 | ZM2MulPer | second Zagreb index by multiplicative perturbation vertex degrees |

93 | ON0 | overall modified Zagreb index of order 0 |

94 | ON0V | overall modified Zagreb index of order 0 by valence vertex degrees |

95 | ON1 | overall modified Zagreb index of order 1 |

96 | ON1V | overall modified Zagreb index of order 1 by valence vertex degrees |

97 | Qindex | quadratic index |

98 | BBI | Bertz branching index |

99 | DBI | Dragon branching index |

100 | SNar | Narumi simple topological index (log function) |

101 | HNar | Narumi harmonic topological index |

102 | GNar | Narumi geometric topological index |

103 | Xt | total structure connectivity index |

104 | Dz | Pogliani index |

105 | Ram | ramification index |

106 | BLI | Kier benzene-likeliness index |

107 | Pol | polarity number |

108 | LPRS | log of product of row sums (PRS) |

109 | MSD | mean square distance index (Balaban) |

110 | SPI | superpendentic index |

111 | PJI2 | 2D Petitjean shape index |

112 | ECC | eccentricity |

113 | AECC | average eccentricity |

114 | DECC | eccentric |

115 | MDDD | mean distance degree deviation |

116 | UNIP | unipolarity |

117 | CENT | centralization |

118 | VAR | variation |

119 | ICR | radial centric information index |

120 | MaxTD | max topological distance |

121 | MeanTD | mean pairwise topological distance |

122 | MaxDD | max detour distance |

123 | MeanDD | mean pairwise detour distance |

124 | SMTI | Schultz Molecular Topological Index (MTI) |

125 | SMTIV | Schultz Molecular Topological Index by valence vertex degrees |

126 | GMTI | Gutman Molecular Topological Index |

127 | GMTIV | Gutman Molecular Topological Index by valence vertex degrees |

128 | Xu | Xu index |

129 | CSI | eccentric connectivity index |

130 | Wap | all-path Wiener index |

131 | S1K | 1-path Kier alpha-modified shape index |

132 | S2K | 2-path Kier alpha-modified shape index |

133 | S3K | 3-path Kier alpha-modified shape index |

134 | PHI | Kier flexibility index |

135 | PW2 | path/walk 2 – Randic shape index |

136 | PW3 | path/walk 3 – Randic shape index |

137 | PW4 | path/walk 4 – Randic shape index |

138 | PW5 | path/walk 5 – Randic shape index |

139 | MAXDN | maximal electrotopological negative variation |

140 | MAXDP | maximal electrotopological positive variation |

141 | DELS | molecular electrotopological variation |

142 | TIE | E-state topological parameter |

143 | Psi_i_s | intrinsic state pseudoconnectivity index – type S |

144 | Psi_i_A | intrinsic state pseudoconnectivity index – type S average |

145 | Psi_i_0 | intrinsic state pseudoconnectivity index – type 0 |

146 | Psi_i_1 | intrinsic state pseudoconnectivity index – type 1 |

147 | Psi_i_t | intrinsic state pseudoconnectivity index – type T |

148 | Psi_i_0d | intrinsic state pseudoconnectivity index – type 0d |

149 | Psi_i_1d | intrinsic state pseudoconnectivity index – type 1d |

150 | Psi_i_1s | intrinsic state pseudoconnectivity index – type 1s |

151 | Psi_e_A | electrotopological state pseudoconnectivity index – type S average |

152 | Psi_e_0 | electrotopological state pseudoconnectivity index – type 0 |

153 | Psi_e_1 | electrotopological state pseudoconnectivity index – type 1 |

154 | Psi_e_t | electrotopological state pseudoconnectivity index – type T |

155 | Psi_e_0d | electrotopological state pseudoconnectivity index – type 0d |

156 | Psi_e_1d | electrotopological state pseudoconnectivity index – type 1d |

157 | Psi_e_1s | electrotopological state pseudoconnectivity index – type 1s |

158 | BAC | Balaban centric index |

159 | LOC | lopping centric index |

## Walk and path counts

No. | Name | Description |
---|---|---|

160 | MWC01 | molecular walk count of order 1 |

161 | MWC02 | molecular walk count of order 2 |

162 | MWC03 | molecular walk count of order 3 |

163 | MWC04 | molecular walk count of order 4 |

164 | MWC05 | molecular walk count of order 5 |

165 | MWC06 | molecular walk count of order 6 |

166 | MWC07 | molecular walk count of order 7 |

167 | MWC08 | molecular walk count of order 8 |

168 | MWC09 | molecular walk count of order 9 |

169 | MWC10 | molecular walk count of order 10 |

170 | SRW02 | self-returning walk count of order 2 |

171 | SRW03 | self-returning walk count of order 3 |

172 | SRW04 | self-returning walk count of order 4 |

173 | SRW05 | self-returning walk count of order 5 |

174 | SRW06 | self-returning walk count of order 6 |

175 | SRW07 | self-returning walk count of order 7 |

176 | SRW08 | self-returning walk count of order 8 |

177 | SRW09 | self-returning walk count of order 9 |

178 | SRW10 | self-returning walk count of order 10 |

179 | MPC01 | molecular path count of order 1 (no. of non-H bonds) |

180 | MPC02 | molecular path count of order 2 (Gordon-Scantlebury index) |

181 | MPC03 | molecular path count of order 3 |

182 | MPC04 | molecular path count of order 4 |

183 | MPC05 | molecular path count of order 5 |

184 | MPC06 | molecular path count of order 6 |

185 | MPC07 | molecular path count of order 7 |

186 | MPC08 | molecular path count of order 8 |

187 | MPC09 | molecular path count of order 9 |

188 | MPC10 | molecular path count of order 10 |

189 | piPC01 | molecular multiple path count of order 1 |

190 | piPC02 | molecular multiple path count of order 2 |

191 | piPC03 | molecular multiple path count of order 3 |

192 | piPC04 | molecular multiple path count of order 4 |

193 | piPC05 | molecular multiple path count of order 5 |

194 | piPC06 | molecular multiple path count of order 6 |

195 | piPC07 | molecular multiple path count of order 7 |

196 | piPC08 | molecular multiple path count of order 8 |

197 | piPC09 | molecular multiple path count of order 9 |

198 | piPC10 | molecular multiple path count of order 10 |

199 | TWC | total walk count |

200 | TPC | total path count |

201 | piID | conventional bond order ID number |

202 | PCR | ratio of multiple path count over path count |

203 | PCD | difference between multiple path count and path count |

204 | CID | Randic ID number |

205 | BID | Balaban ID number |

## Connectivity indices

No. | Name | Description |
---|---|---|

206 | X0 | connectivity index of order 0 |

207 | X1 | connectivity index of order 1 (Randic connectivity index) |

208 | X2 | connectivity index of order 2 |

209 | X3 | connectivity index of order 3 |

210 | X4 | connectivity index of order 4 |

211 | X5 | connectivity index of order 5 |

212 | X0A | average connectivity index of order 0 |

213 | X1A | average connectivity index of order 1 |

214 | X2A | average connectivity index of order 2 |

215 | X3A | average connectivity index of order 3 |

216 | X4A | average connectivity index of order 4 |

217 | X5A | average connectivity index of order 5 |

218 | X0v | valence connectivity index of order 0 |

219 | X1v | valence connectivity index of order 1 |

220 | X2v | valence connectivity index of order 2 |

221 | X3v | valence connectivity index of order 3 |

222 | X4v | valence connectivity index of order 4 |

223 | X5v | valence connectivity index of order 5 |

224 | X0Av | average valence connectivity index of order 0 |

225 | X1Av | average valence connectivity index of order 1 |

226 | X2Av | average valence connectivity index of order 2 |

227 | X3Av | average valence connectivity index of order 3 |

228 | X4Av | average valence connectivity index of order 4 |

229 | X5Av | average valence connectivity index of order 5 |

230 | X0sol | solvation connectivity index of order 0 |

231 | X1sol | solvation connectivity index of order 1 |

232 | X2sol | solvation connectivity index of order 2 |

233 | X3sol | solvation connectivity index of order 3 |

234 | X4sol | solvation connectivity index of order 4 |

235 | X5sol | solvation connectivity index of order 5 |

236 | XMOD | modified Randic index |

237 | RDCHI | reciprocal distance sum Randic-like index |

238 | RDSQ | reciprocal distance sum inverse Randic-like index |

239 | X1Kup | Kupchik connectivity index |

240 | X1Mad | connectivity topochemical index |

241 | X1Per | perturbation connectivity index |

242 | X1MulPer | multiplicative perturbation connectivity index |

## Information indices

No. | Name | Description |
---|---|---|

243 | ISIZ | information index on molecular size |

244 | IAC | total information index on atomic composition |

245 | AAC | mean information index on atomic composition |

246 | IDE | mean information content on the distance equality |

247 | IDM | mean information content on the distance magnitude |

248 | IDDE | mean information content on the distance degree equality |

249 | IDDM | mean information content on the distance degree magnitude |

250 | IDET | total information content on the distance equality |

251 | IDMT | total information content on the distance magnitude |

252 | IVDE | mean information content on the vertex degree equality |

253 | IVDM | mean information content on the vertex degree magnitude |

254 | Ges | Number of symmetry classes (based on electrotopological state) |

255 | rGes | Relative number of symmetry classes (based on electrotopological state) |

256 | S0K | Kier symmetry index |

257 | HVcpx | graph vertex complexity index |

258 | HDcpx | graph distance complexity index (log function) |

259 | Uindex | Balaban U index |

260 | Vindex | Balaban V index |

261 | Xindex | Balaban X index |

262 | Yindex | Balaban Y index |

263 | IC0 | Information Content index (neighborhood symmetry of 0-order) |

264 | IC1 | Information Content index (neighborhood symmetry of 1-order) |

265 | IC2 | Information Content index (neighborhood symmetry of 2-order) |

266 | IC3 | Information Content index (neighborhood symmetry of 3-order) |

267 | IC4 | Information Content index (neighborhood symmetry of 4-order) |

268 | IC5 | Information Content index (neighborhood symmetry of 5-order) |

269 | TIC0 | Total Information Content index (neighborhood symmetry of 0-order) |

270 | TIC1 | Total Information Content index (neighborhood symmetry of 1-order) |

271 | TIC2 | Total Information Content index (neighborhood symmetry of 2-order) |

272 | TIC3 | Total Information Content index (neighborhood symmetry of 3-order) |

273 | TIC4 | Total Information Content index (neighborhood symmetry of 4-order) |

274 | TIC5 | Total Information Content index (neighborhood symmetry of 5-order) |

275 | SIC0 | Structural Information Content index (neighborhood symmetry of 0-order) |

276 | SIC1 | Structural Information Content index (neighborhood symmetry of 1-order) |

277 | SIC2 | Structural Information Content index (neighborhood symmetry of 2-order) |

278 | SIC3 | Structural Information Content index (neighborhood symmetry of 3-order) |

279 | SIC4 | Structural Information Content index (neighborhood symmetry of 4-order) |

280 | SIC5 | Structural Information Content index (neighborhood symmetry of 5-order) |

281 | CIC0 | Complementary Information Content index (neighborhood symmetry of 0-order) |

282 | CIC1 | Complementary Information Content index (neighborhood symmetry of 1-order) |

283 | CIC2 | Complementary Information Content index (neighborhood symmetry of 2-order) |

284 | CIC3 | Complementary Information Content index (neighborhood symmetry of 3-order) |

285 | CIC4 | Complementary Information Content index (neighborhood symmetry of 4-order) |

286 | CIC5 | Complementary Information Content index (neighborhood symmetry of 5-order) |

287 | BIC0 | Bond Information Content index (neighborhood symmetry of 0-order) |

288 | BIC1 | Bond Information Content index (neighborhood symmetry of 1-order) |

289 | BIC2 | Bond Information Content index (neighborhood symmetry of 2-order) |

290 | BIC3 | Bond Information Content index (neighborhood symmetry of 3-order) |

291 | BIC4 | Bond Information Content index (neighborhood symmetry of 4-order) |

292 | BIC5 | Bond Information Content index (neighborhood symmetry of 5-order) |

## 2D matrix-based descriptors

No. | Name | Description |
---|---|---|

293 | J_A | Balaban-like index from adjacency matrix |

294 | SpPos_A | spectral positive sum from adjacency matrix |

295 | SpPosA_A | normalized spectral positive sum from adjacency matrix |

296 | SpPosLog_A | logarithmic spectral positive sum from adjacency matrix |

297 | SpMax_A | leading eigenvalue from adjacency matrix (Lovasz-Pelikan index) |

298 | SpMaxA_A | normalized leading eigenvalue from adjacency matrix |

299 | SpDiam_A | spectral diameter from adjacency matrix |

300 | SpAD_A | spectral absolute deviation from adjacency matrix |

301 | SpMAD_A | spectral mean absolute deviation from adjacency matrix |

302 | Ho_A | Hosoya-like index (log function) from adjacency matrix |

303 | EE_A | Estrada-like index (log function) from adjacency matrix |

304 | VE1_A | coefficient sum of the last eigenvector (absolute values) from adjacency matrix |

305 | VE2_A | average coefficient of the last eigenvector (absolute values) from adjacency matrix |

306 | VE3_A | logarithmic coefficient sum of the last eigenvector (absolute values) from adjacency matrix |

307 | VE1sign_A | coefficient sum of the last eigenvector from adjacency matrix |

308 | VE2sign_A | average coefficient of the last eigenvector from adjacency matrix |

309 | VE3sign_A | logarithmic coefficient sum of the last eigenvector from adjacency matrix |

310 | VR1_A | Randic-like eigenvector-based index from adjacency matrix |

311 | VR2_A | normalized Randic-like eigenvector-based index from adjacency matrix |

312 | VR3_A | logarithmic Randic-like eigenvector-based index from adjacency matrix |

313 | Wi_D | Wiener-like index from topological distance matrix (Wiener index) |

314 | WiA_D | average Wiener-like index from topological distance matrix |

315 | AVS_D | average vertex sum from topological distance matrix |

316 | H_D | Harary-like index from topological distance matrix (Harary index) |

317 | Chi_D | Randic-like index from topological distance matrix |

318 | ChiA_D | average Randic-like index from topological distance matrix |

319 | J_D | Balaban-like index from topological distance matrix (Balaban distance connectivity index) |

320 | HyWi_D | hyper-Wiener-like index (log function) from topological distance matrix |

321 | SpPos_D | spectral positive sum from topological distance matrix |

322 | SpPosA_D | normalized spectral positive sum from topological distance matrix |

323 | SpPosLog_D | logarithmic spectral positive sum from topological distance matrix |

324 | SpMax_D | leading eigenvalue from topological distance matrix |

325 | SpMaxA_D | normalized leading eigenvalue from topological distance matrix |

326 | SpDiam_D | spectral diameter from topological distance matrix |

327 | SpAD_D | spectral absolute deviation from topological distance matrix |

328 | SpMAD_D | spectral mean absolute deviation from topological distance matrix |

329 | Ho_D | Hosoya-like index (log function) from topological distance matrix |

330 | EE_D | Estrada-like index (log function) from topological distance matrix |

331 | SM2_D | spectral moment of order 2 from topological distance matrix |

332 | SM3_D | spectral moment of order 3 from topological distance matrix |

333 | SM4_D | spectral moment of order 4 from topological distance matrix |

334 | SM5_D | spectral moment of order 5 from topological distance matrix |

335 | SM6_D | spectral moment of order 6 from topological distance matrix |

336 | VE1_D | coefficient sum of the last eigenvector (absolute values) from topological distance matrix |

337 | VE2_D | average coefficient of the last eigenvector (absolute values) from topological distance matrix |

338 | VE3_D | logarithmic coefficient sum of the last eigenvector (absolute values) from topological distance matrix |

339 | VE1sign_D | coefficient sum of the last eigenvector from topological distance matrix |

340 | VE2sign_D | average coefficient of the last eigenvector from topological distance matrix |

341 | VE3sign_D | logarithmic coefficient sum of the last eigenvector from topological distance matrix |

342 | VR1_D | Randic-like eigenvector-based index from topological distance matrix |

343 | VR2_D | normalized Randic-like eigenvector-based index from topological distance matrix |

344 | VR3_D | logarithmic Randic-like eigenvector-based index from topological distance matrix |

345 | QW_L | quasi-Wiener index (Kirchhoff number) from Laplace matrix |

346 | TI1_L | first Mohar index from Laplace matrix |

347 | TI2_L | second Mohar index from Laplace matrix |

348 | STN_L | spanning tree number (log function) from Laplace matrix |

349 | SpPos_L | spectral positive sum from Laplace matrix |

350 | SpPosA_L | normalized spectral positive sum from Laplace matrix |

351 | SpPosLog_L | logarithmic spectral positive sum from Laplace matrix |

352 | SpMax_L | leading eigenvalue from Laplace matrix |

353 | SpMaxA_L | normalized leading eigenvalue from Laplace matrix |

354 | SpDiam_L | spectral diameter from Laplace matrix |

355 | SpAD_L | spectral absolute deviation from Laplace matrix |

356 | SpMAD_L | spectral mean absolute deviation from Laplace matrix |

357 | Ho_L | Hosoya-like index (log function) from Laplace matrix |

358 | EE_L | Estrada-like index (log function) from Laplace matrix |

359 | SM2_L | spectral moment of order 2 from Laplace matrix |

360 | SM3_L | spectral moment of order 3 from Laplace matrix |

361 | SM4_L | spectral moment of order 4 from Laplace matrix |

362 | SM5_L | spectral moment of order 5 from Laplace matrix |

363 | SM6_L | spectral moment of order 6 from Laplace matrix |

364 | VE1_L | coefficient sum of the last eigenvector (absolute values) from Laplace matrix |

365 | VE2_L | average coefficient of the last eigenvector (absolute values) from Laplace matrix |

366 | VE3_L | logarithmic coefficient sum of the last eigenvector (absolute values) from Laplace matrix |

367 | VE1sign_L | coefficient sum of the last eigenvector from Laplace matrix |

368 | VE2sign_L | average coefficient of the last eigenvector from Laplace matrix |

369 | VE3sign_L | logarithmic coefficient sum of the last eigenvector from Laplace matrix |

370 | VR1_L | Randic-like eigenvector-based index from Laplace matrix |

371 | VR2_L | normalized Randic-like eigenvector-based index from Laplace matrix |

372 | VR3_L | logarithmic Randic-like eigenvector-based index from Laplace matrix |

373 | AVS_X | average vertex sum from chi matrix |

374 | H_X | Harary-like index from chi matrix |

375 | Chi_X | Randic-like index from chi matrix |

376 | ChiA_X | average Randic-like index from chi matrix |

377 | J_X | Balaban-like index from chi matrix |

378 | HyWi_X | hyper-Wiener-like index (log function) from chi matrix |

379 | SpPos_X | spectral positive sum from chi matrix |

380 | SpPosA_X | normalized spectral positive sum from chi matrix |

381 | SpPosLog_X | logarithmic spectral positive sum from chi matrix |

382 | SpMax_X | leading eigenvalue from chi matrix |

383 | SpMaxA_X | normalized leading eigenvalue from chi matrix |

384 | SpDiam_X | spectral diameter from chi matrix |

385 | SpAD_X | spectral absolute deviation from chi matrix |

386 | SpMAD_X | spectral mean absolute deviation from chi matrix |

387 | Ho_X | Hosoya-like index (log function) from chi matrix |

388 | EE_X | Estrada-like index (log function) from chi matrix |

389 | SM2_X | spectral moment of order 2 from chi matrix |

390 | SM3_X | spectral moment of order 3 from chi matrix |

391 | SM4_X | spectral moment of order 4 from chi matrix |

392 | SM5_X | spectral moment of order 5 from chi matrix |

393 | SM6_X | spectral moment of order 6 from chi matrix |

394 | VE1_X | coefficient sum of the last eigenvector (absolute values) from chi matrix |

395 | VE2_X | average coefficient of the last eigenvector (absolute values) from chi matrix |

396 | VE3_X | logarithmic coefficient sum of the last eigenvector (absolute values) from chi matrix |

397 | VE1sign_X | coefficient sum of the last eigenvector from chi matrix |

398 | VE2sign_X | average coefficient of the last eigenvector from chi matrix |

399 | VE3sign_X | logarithmic coefficient sum of the last eigenvector from chi matrix |

400 | VR1_X | Randic-like eigenvector-based index from chi matrix |

401 | VR2_X | normalized Randic-like eigenvector-based index from chi matrix |

402 | VR3_X | logarithmic Randic-like eigenvector-based index from chi matrix |

403 | Wi_H2 | Wiener-like index from reciprocal squared distance matrix |

404 | WiA_H2 | average Wiener-like index from reciprocal squared distance matrix |

405 | AVS_H2 | average vertex sum from reciprocal squared distance matrix |

406 | Chi_H2 | Randic-like index from reciprocal squared distance matrix |

407 | ChiA_H2 | average Randic-like index from reciprocal squared distance matrix |

408 | J_H2 | Balaban-like index from reciprocal squared distance matrix |

409 | HyWi_H2 | hyper-Wiener-like index (log function) from reciprocal squared distance matrix |

410 | SpPos_H2 | spectral positive sum from reciprocal squared distance matrix |

411 | SpPosA_H2 | normalized spectral positive sum from reciprocal squared distance matrix |

412 | SpPosLog_H2 | logarithmic spectral positive sum from reciprocal squared distance matrix |

413 | SpMax_H2 | leading eigenvalue from reciprocal squared distance matrix |

414 | SpMaxA_H2 | normalized leading eigenvalue from reciprocal squared distance matrix |

415 | SpDiam_H2 | spectral diameter from reciprocal squared distance matrix |

416 | SpAD_H2 | spectral absolute deviation from reciprocal squared distance matrix |

417 | SpMAD_H2 | spectral mean absolute deviation from reciprocal squared distance matrix |

418 | Ho_H2 | Hosoya-like index (log function) from reciprocal squared distance matrix |

419 | EE_H2 | Estrada-like index (log function) from reciprocal squared distance matrix |

420 | SM2_H2 | spectral moment of order 2 from reciprocal squared distance matrix |

421 | SM3_H2 | spectral moment of order 3 from reciprocal squared distance matrix |

422 | SM4_H2 | spectral moment of order 4 from reciprocal squared distance matrix |

423 | SM5_H2 | spectral moment of order 5 from reciprocal squared distance matrix |

424 | SM6_H2 | spectral moment of order 6 from reciprocal squared distance matrix |

425 | VE1_H2 | coefficient sum of the last eigenvector (absolute values) from reciprocal squared distance matrix |

426 | VE2_H2 | average coefficient of the last eigenvector (absolute values) from reciprocal squared distance matrix |

427 | VE3_H2 | logarithmic coefficient sum of the last eigenvector (absolute values) from reciprocal squared distance matrix |

428 | VE1sign_H2 | coefficient sum of the last eigenvector from reciprocal squared distance matrix |

429 | VE2sign_H2 | average coefficient of the last eigenvector from reciprocal squared distance matrix |

430 | VE3sign_H2 | logarithmic coefficient sum of the last eigenvector from reciprocal squared distance matrix |

431 | VR1_H2 | Randic-like eigenvector-based index from reciprocal squared distance matrix |

432 | VR2_H2 | normalized Randic-like eigenvector-based index from reciprocal squared distance matrix |

433 | VR3_H2 | logarithmic Randic-like eigenvector-based index from reciprocal squared distance matrix |

434 | Wi_Dt | Wiener-like index from detour matrix (detour index) |

435 | WiA_Dt | average Wiener-like index from detour matrix |

436 | AVS_Dt | average vertex sum from detour matrix |

437 | H_Dt | Harary-like index from detour matrix |

438 | Chi_Dt | Randic-like index from detour matrix |

439 | ChiA_Dt | average Randic-like index from detour matrix |

440 | J_Dt | Balaban-like index from detour matrix |

441 | HyWi_Dt | hyper-Wiener-like index (log function) from detour matrix |

442 | SpPos_Dt | spectral positive sum from detour matrix |

443 | SpPosA_Dt | normalized spectral positive sum from detour matrix |

444 | SpPosLog_Dt | logarithmic spectral positive sum from detour matrix |

445 | SpMax_Dt | leading eigenvalue from detour matrix |

446 | SpMaxA_Dt | normalized leading eigenvalue from detour matrix |

447 | SpDiam_Dt | spectral diameter from detour matrix |

448 | SpAD_Dt | spectral absolute deviation from detour matrix |

449 | SpMAD_Dt | spectral mean absolute deviation from detour matrix |

450 | Ho_Dt | Hosoya-like index (log function) from detour matrix |

451 | EE_Dt | Estrada-like index (log function) from detour matrix |

452 | SM2_Dt | spectral moment of order 2 from detour matrix |

453 | SM3_Dt | spectral moment of order 3 from detour matrix |

454 | SM4_Dt | spectral moment of order 4 from detour matrix |

455 | SM5_Dt | spectral moment of order 5 from detour matrix |

456 | SM6_Dt | spectral moment of order 6 from detour matrix |

457 | VE1_Dt | coefficient sum of the last eigenvector (absolute values) from detour matrix |

458 | VE2_Dt | average coefficient of the last eigenvector (absolute values) from detour matrix |

459 | VE3_Dt | logarithmic coefficient sum of the last eigenvector (absolute values) from detour matrix |

460 | VE1sign_Dt | coefficient sum of the last eigenvector from detour matrix |

461 | VE2sign_Dt | average coefficient of the last eigenvector from detour matrix |

462 | VE3sign_Dt | logarithmic coefficient sum of the last eigenvector from detour matrix |

463 | VR1_Dt | Randic-like eigenvector-based index from detour matrix |

464 | VR2_Dt | normalized Randic-like eigenvector-based index from detour matrix |

465 | VR3_Dt | logarithmic Randic-like eigenvector-based index from detour matrix |

466 | Wi_D/Dt | Wiener-like index from distance/detour matrix |

467 | WiA_D/Dt | average Wiener-like index from distance/detour matrix |

468 | AVS_D/Dt | average vertex sum from distance/detour matrix |

469 | H_D/Dt | Harary-like index from distance/detour matrix |

470 | Chi_D/Dt | Randic-like index from distance/detour matrix |

471 | ChiA_D/Dt | average Randic-like index from distance/detour matrix |

472 | J_D/Dt | Balaban-like index from distance/detour matrix |

473 | HyWi_D/Dt | hyper-Wiener-like index (log function) from distance/detour matrix |

474 | SpPos_D/Dt | spectral positive sum from distance/detour matrix |

475 | SpPosA_D/Dt | normalized spectral positive sum from distance/detour matrix |

476 | SpPosLog_D/Dt | logarithmic spectral positive sum from distance/detour matrix |

477 | SpMax_D/Dt | leading eigenvalue from distance/detour matrix |

478 | SpMaxA_D/Dt | normalized leading eigenvalue from distance/detour matrix |

479 | SpDiam_D/Dt | spectral diameter from distance/detour matrix |

480 | SpAD_D/Dt | spectral absolute deviation from distance/detour matrix |

481 | SpMAD_D/Dt | spectral mean absolute deviation from distance/detour matrix |

482 | Ho_D/Dt | Hosoya-like index (log function) from distance/detour matrix |

483 | EE_D/Dt | Estrada-like index (log function) from distance/detour matrix |

484 | SM2_D/Dt | spectral moment of order 2 from distance/detour matrix |

485 | SM3_D/Dt | spectral moment of order 3 from distance/detour matrix |

486 | SM4_D/Dt | spectral moment of order 4 from distance/detour matrix |

487 | SM5_D/Dt | spectral moment of order 5 from distance/detour matrix |

488 | SM6_D/Dt | spectral moment of order 6 from distance/detour matrix |

489 | VE1_D/Dt | coefficient sum of the last eigenvector (absolute values) from distance/detour matrix |

490 | VE2_D/Dt | average coefficient of the last eigenvector (absolute values) from distance/detour matrix |

491 | VE3_D/Dt | logarithmic coefficient sum of the last eigenvector (absolute values) from distance/detour matrix |

492 | VE1sign_D/Dt | coefficient sum of the last eigenvector from distance/detour matrix |

493 | VE2sign_D/Dt | average coefficient of the last eigenvector from distance/detour matrix |

494 | VE3sign_D/Dt | logarithmic coefficient sum of the last eigenvector from distance/detour matrix |

495 | VR1_D/Dt | Randic-like eigenvector-based index from distance/detour matrix |

496 | VR2_D/Dt | normalized Randic-like eigenvector-based index from distance/detour matrix |

497 | VR3_D/Dt | logarithmic Randic-like eigenvector-based index from distance/detour matrix |

498 | Wi_Dz(Z) | Wiener-like index from Barysz matrix weighted by atomic number |

499 | WiA_Dz(Z) | average Wiener-like index from Barysz matrix weighted by atomic number |

500 | AVS_Dz(Z) | average vertex sum from Barysz matrix weighted by atomic number |

501 | H_Dz(Z) | Harary-like index from Barysz matrix weighted by atomic number |

502 | Chi_Dz(Z) | Randic-like index from Barysz matrix weighted by atomic number |

503 | ChiA_Dz(Z) | average Randic-like index from Barysz matrix weighted by atomic number |

504 | J_Dz(Z) | Balaban-like index from Barysz matrix weighted by atomic number |

505 | HyWi_Dz(Z) | hyper-Wiener-like index (log function) from Barysz matrix weighted by atomic number |

506 | SpAbs_Dz(Z) | graph energy from Barysz matrix weighted by atomic number |

507 | SpPos_Dz(Z) | spectral positive sum from Barysz matrix weighted by atomic number |

508 | SpPosA_Dz(Z) | normalized spectral positive sum from Barysz matrix weighted by atomic number |

509 | SpPosLog_Dz(Z) | logarithmic spectral positive sum from Barysz matrix weighted by atomic number |

510 | SpMax_Dz(Z) | leading eigenvalue from Barysz matrix weighted by atomic number |

511 | SpMaxA_Dz(Z) | normalized leading eigenvalue from Barysz matrix weighted by atomic number |

512 | SpDiam_Dz(Z) | spectral diameter from Barysz matrix weighted by atomic number |

513 | SpAD_Dz(Z) | spectral absolute deviation from Barysz matrix weighted by atomic number |

514 | SpMAD_Dz(Z) | spectral mean absolute deviation from Barysz matrix weighted by atomic number |

515 | Ho_Dz(Z) | Hosoya-like index (log function) from Barysz matrix weighted by atomic number |

516 | EE_Dz(Z) | Estrada-like index (log function) from Barysz matrix weighted by atomic number |

517 | SM1_Dz(Z) | spectral moment of order 1 from Barysz matrix weighted by atomic number |

518 | SM2_Dz(Z) | spectral moment of order 2 from Barysz matrix weighted by atomic number |

519 | SM3_Dz(Z) | spectral moment of order 3 from Barysz matrix weighted by atomic number |

520 | SM4_Dz(Z) | spectral moment of order 4 from Barysz matrix weighted by atomic number |

521 | SM5_Dz(Z) | spectral moment of order 5 from Barysz matrix weighted by atomic number |

522 | SM6_Dz(Z) | spectral moment of order 6 from Barysz matrix weighted by atomic number |

523 | VE1_Dz(Z) | coefficient sum of the last eigenvector (absolute values) from Barysz matrix weighted by atomic number |

524 | VE2_Dz(Z) | average coefficient of the last eigenvector (absolute values) from Barysz matrix weighted by atomic number |

525 | VE3_Dz(Z) | logarithmic coefficient sum of the last eigenvector (absolute values) from Barysz matrix weighted by atomic number |

526 | VE1sign_Dz(Z) | coefficient sum of the last eigenvector from Barysz matrix weighted by atomic number |

527 | VE2sign_Dz(Z) | average coefficient of the last eigenvector from Barysz matrix weighted by atomic number |

528 | VE3sign_Dz(Z) | logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by atomic number |

529 | VR1_Dz(Z) | Randic-like eigenvector-based index from Barysz matrix weighted by atomic number |

530 | VR2_Dz(Z) | normalized Randic-like eigenvector-based index from Barysz matrix weighted by atomic number |

531 | VR3_Dz(Z) | logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by atomic number |

532 | Wi_Dz(m) | Wiener-like index from Barysz matrix weighted by mass |

533 | WiA_Dz(m) | average Wiener-like index from Barysz matrix weighted by mass |

534 | AVS_Dz(m) | average vertex sum from Barysz matrix weighted by mass |

535 | H_Dz(m) | Harary-like index from Barysz matrix weighted by mass |

536 | Chi_Dz(m) | Randic-like index from Barysz matrix weighted by mass |

537 | ChiA_Dz(m) | average Randic-like index from Barysz matrix weighted by mass |

538 | J_Dz(m) | Balaban-like index from Barysz matrix weighted by mass |

539 | HyWi_Dz(m) | hyper-Wiener-like index (log function) from Barysz matrix weighted by mass |

540 | SpAbs_Dz(m) | graph energy from Barysz matrix weighted by mass |

541 | SpPos_Dz(m) | spectral positive sum from Barysz matrix weighted by mass |

542 | SpPosA_Dz(m) | normalized spectral positive sum from Barysz matrix weighted by mass |

543 | SpPosLog_Dz(m) | logarithmic spectral positive sum from Barysz matrix weighted by mass |

544 | SpMax_Dz(m) | leading eigenvalue from Barysz matrix weighted by mass |

545 | SpMaxA_Dz(m) | normalized leading eigenvalue from Barysz matrix weighted by mass |

546 | SpDiam_Dz(m) | spectral diameter from Barysz matrix weighted by mass |

547 | SpAD_Dz(m) | spectral absolute deviation from Barysz matrix weighted by mass |

548 | SpMAD_Dz(m) | spectral mean absolute deviation from Barysz matrix weighted by mass |

549 | Ho_Dz(m) | Hosoya-like index (log function) from Barysz matrix weighted by mass |

550 | EE_Dz(m) | Estrada-like index (log function) from Barysz matrix weighted by mass |

551 | SM1_Dz(m) | spectral moment of order 1 from Barysz matrix weighted by mass |

552 | SM2_Dz(m) | spectral moment of order 2 from Barysz matrix weighted by mass |

553 | SM3_Dz(m) | spectral moment of order 3 from Barysz matrix weighted by mass |

554 | SM4_Dz(m) | spectral moment of order 4 from Barysz matrix weighted by mass |

555 | SM5_Dz(m) | spectral moment of order 5 from Barysz matrix weighted by mass |

556 | SM6_Dz(m) | spectral moment of order 6 from Barysz matrix weighted by mass |

557 | VE1_Dz(m) | coefficient sum of the last eigenvector (absolute values) from Barysz matrix weighted by mass |

558 | VE2_Dz(m) | average coefficient of the last eigenvector (absolute values) from Barysz matrix weighted by mass |

559 | VE3_Dz(m) | logarithmic coefficient sum of the last eigenvector (absolute values) from Barysz matrix weighted by mass |

560 | VE1sign_Dz(m) | coefficient sum of the last eigenvector from Barysz matrix weighted by mass |

561 | VE2sign_Dz(m) | average coefficient of the last eigenvector from Barysz matrix weighted by mass |

562 | VE3sign_Dz(m) | logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by mass |

563 | VR1_Dz(m) | Randic-like eigenvector-based index from Barysz matrix weighted by mass |

564 | VR2_Dz(m) | normalized Randic-like eigenvector-based index from Barysz matrix weighted by mass |

565 | VR3_Dz(m) | logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by mass |

566 | Wi_Dz(v) | Wiener-like index from Barysz matrix weighted by van der Waals volume |

567 | WiA_Dz(v) | average Wiener-like index from Barysz matrix weighted by van der Waals volume |

568 | AVS_Dz(v) | average vertex sum from Barysz matrix weighted by van der Waals volume |

569 | H_Dz(v) | Harary-like index from Barysz matrix weighted by van der Waals volume |

570 | Chi_Dz(v) | Randic-like index from Barysz matrix weighted by van der Waals volume |

571 | ChiA_Dz(v) | average Randic-like index from Barysz matrix weighted by van der Waals volume |

572 | J_Dz(v) | Balaban-like index from Barysz matrix weighted by van der Waals volume |

573 | HyWi_Dz(v) | hyper-Wiener-like index (log function) from Barysz matrix weighted by van der Waals volume |

574 | SpAbs_Dz(v) | graph energy from Barysz matrix weighted by van der Waals volume |

575 | SpPos_Dz(v) | spectral positive sum from Barysz matrix weighted by van der Waals volume |

576 | SpPosA_Dz(v) | normalized spectral positive sum from Barysz matrix weighted by van der Waals volume |

577 | SpPosLog_Dz(v) | logarithmic spectral positive sum from Barysz matrix weighted by van der Waals volume |

578 | SpMax_Dz(v) | leading eigenvalue from Barysz matrix weighted by van der Waals volume |

579 | SpMaxA_Dz(v) | normalized leading eigenvalue from Barysz matrix weighted by van der Waals volume |

580 | SpDiam_Dz(v) | spectral diameter from Barysz matrix weighted by van der Waals volume |

581 | SpAD_Dz(v) | spectral absolute deviation from Barysz matrix weighted by van der Waals volume |

582 | SpMAD_Dz(v) | spectral mean absolute deviation from Barysz matrix weighted by van der Waals volume |

583 | Ho_Dz(v) | Hosoya-like index (log function) from Barysz matrix weighted by van der Waals volume |

584 | EE_Dz(v) | Estrada-like index (log function) from Barysz matrix weighted by van der Waals volume |

585 | SM1_Dz(v) | spectral moment of order 1 from Barysz matrix weighted by van der Waals volume |

586 | SM2_Dz(v) | spectral moment of order 2 from Barysz matrix weighted by van der Waals volume |

587 | SM3_Dz(v) | spectral moment of order 3 from Barysz matrix weighted by van der Waals volume |

588 | SM4_Dz(v) | spectral moment of order 4 from Barysz matrix weighted by van der Waals volume |

589 | SM5_Dz(v) | spectral moment of order 5 from Barysz matrix weighted by van der Waals volume |

590 | SM6_Dz(v) | spectral moment of order 6 from Barysz matrix weighted by van der Waals volume |

591 | VE1_Dz(v) | coefficient sum of the last eigenvector (absolute values) from Barysz matrix weighted by van der Waals volume |

592 | VE2_Dz(v) | average coefficient of the last eigenvector (absolute values) from Barysz matrix weighted by van der Waals volume |

593 | VE3_Dz(v) | logarithmic coefficient sum of the last eigenvector (absolute values) from Barysz matrix weighted by van der Waals volume |

594 | VE1sign_Dz(v) | coefficient sum of the last eigenvector from Barysz matrix weighted by van der Waals volume |

595 | VE2sign_Dz(v) | average coefficient of the last eigenvector from Barysz matrix weighted by van der Waals volume |

596 | VE3sign_Dz(v) | logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by van der Waals volume |

597 | VR1_Dz(v) | Randic-like eigenvector-based index from Barysz matrix weighted by van der Waals volume |

598 | VR2_Dz(v) | normalized Randic-like eigenvector-based index from Barysz matrix weighted by van der Waals volume |

599 | VR3_Dz(v) | logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by van der Waals volume |

600 | Wi_Dz(e) | Wiener-like index from Barysz matrix weighted by Sanderson electronegativity |

601 | WiA_Dz(e) | average Wiener-like index from Barysz matrix weighted by Sanderson electronegativity |

602 | AVS_Dz(e) | average vertex sum from Barysz matrix weighted by Sanderson electronegativity |

603 | H_Dz(e) | Harary-like index from Barysz matrix weighted by Sanderson electronegativity |

604 | Chi_Dz(e) | Randic-like index from Barysz matrix weighted by Sanderson electronegativity |

605 | ChiA_Dz(e) | average Randic-like index from Barysz matrix weighted by Sanderson electronegativity |

606 | J_Dz(e) | Balaban-like index from Barysz matrix weighted by Sanderson electronegativity |

607 | HyWi_Dz(e) | hyper-Wiener-like index (log function) from Barysz matrix weighted by Sanderson electronegativity |

608 | SpAbs_Dz(e) | graph energy from Barysz matrix weighted by Sanderson electronegativity |

609 | SpPos_Dz(e) | spectral positive sum from Barysz matrix weighted by Sanderson electronegativity |

610 | SpPosA_Dz(e) | normalized spectral positive sum from Barysz matrix weighted by Sanderson electronegativity |

611 | SpPosLog_Dz(e) | logarithmic spectral positive sum from Barysz matrix weighted by Sanderson electronegativity |

612 | SpMax_Dz(e) | leading eigenvalue from Barysz matrix weighted by Sanderson electronegativity |

613 | SpMaxA_Dz(e) | normalized leading eigenvalue from Barysz matrix weighted by Sanderson electronegativity |

614 | SpDiam_Dz(e) | spectral diameter from Barysz matrix weighted by Sanderson electronegativity |

615 | SpAD_Dz(e) | spectral absolute deviation from Barysz matrix weighted by Sanderson electronegativity |

616 | SpMAD_Dz(e) | spectral mean absolute deviation from Barysz matrix weighted by Sanderson electronegativity |

617 | Ho_Dz(e) | Hosoya-like index (log function) from Barysz matrix weighted by Sanderson electronegativity |

618 | EE_Dz(e) | Estrada-like index (log function) from Barysz matrix weighted by Sanderson electronegativity |

619 | SM1_Dz(e) | spectral moment of order 1 from Barysz matrix weighted by Sanderson electronegativity |

620 | SM2_Dz(e) | spectral moment of order 2 from Barysz matrix weighted by Sanderson electronegativity |

621 | SM3_Dz(e) | spectral moment of order 3 from Barysz matrix weighted by Sanderson electronegativity |

622 | SM4_Dz(e) | spectral moment of order 4 from Barysz matrix weighted by Sanderson electronegativity |

623 | SM5_Dz(e) | spectral moment of order 5 from Barysz matrix weighted by Sanderson electronegativity |

624 | SM6_Dz(e) | spectral moment of order 6 from Barysz matrix weighted by Sanderson electronegativity |

625 | VE1_Dz(e) | coefficient sum of the last eigenvector (absolute values) from Barysz matrix weighted by Sanderson electronegativity |

626 | VE2_Dz(e) | average coefficient of the last eigenvector (absolute values) from Barysz matrix weighted by Sanderson electronegativity |

627 | VE3_Dz(e) | logarithmic coefficient sum of the last eigenvector (absolute values) from Barysz matrix weighted by Sanderson electronegativity |

628 | VE1sign_Dz(e) | coefficient sum of the last eigenvector from Barysz matrix weighted by Sanderson electronegativity |

629 | VE2sign_Dz(e) | average coefficient of the last eigenvector from Barysz matrix weighted by Sanderson electronegativity |

630 | VE3sign_Dz(e) | logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by Sanderson electronegativity |

631 | VR1_Dz(e) | Randic-like eigenvector-based index from Barysz matrix weighted by Sanderson electronegativity |

632 | VR2_Dz(e) | normalized Randic-like eigenvector-based index from Barysz matrix weighted by Sanderson electronegativity |

633 | VR3_Dz(e) | logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by Sanderson electronegativity |

634 | Wi_Dz(p) | Wiener-like index from Barysz matrix weighted by polarizability |

635 | WiA_Dz(p) | average Wiener-like index from Barysz matrix weighted by polarizability |

636 | AVS_Dz(p) | average vertex sum from Barysz matrix weighted by polarizability |

637 | H_Dz(p) | Harary-like index from Barysz matrix weighted by polarizability |

638 | Chi_Dz(p) | Randic-like index from Barysz matrix weighted by polarizability |

639 | ChiA_Dz(p) | average Randic-like index from Barysz matrix weighted by polarizability |

640 | J_Dz(p) | Balaban-like index from Barysz matrix weighted by polarizability |

641 | HyWi_Dz(p) | hyper-Wiener-like index (log function) from Barysz matrix weighted by polarizability |

642 | SpAbs_Dz(p) | graph energy from Barysz matrix weighted by polarizability |

643 | SpPos_Dz(p) | spectral positive sum from Barysz matrix weighted by polarizability |

644 | SpPosA_Dz(p) | normalized spectral positive sum from Barysz matrix weighted by polarizability |

645 | SpPosLog_Dz(p) | logarithmic spectral positive sum from Barysz matrix weighted by polarizability |

646 | SpMax_Dz(p) | leading eigenvalue from Barysz matrix weighted by polarizability |

647 | SpMaxA_Dz(p) | normalized leading eigenvalue from Barysz matrix weighted by polarizability |

648 | SpDiam_Dz(p) | spectral diameter from Barysz matrix weighted by polarizability |

649 | SpAD_Dz(p) | spectral absolute deviation from Barysz matrix weighted by polarizability |

650 | SpMAD_Dz(p) | spectral mean absolute deviation from Barysz matrix weighted by polarizability |

651 | Ho_Dz(p) | Hosoya-like index (log function) from Barysz matrix weighted by polarizability |

652 | EE_Dz(p) | Estrada-like index (log function) from Barysz matrix weighted by polarizability |

653 | SM1_Dz(p) | spectral moment of order 1 from Barysz matrix weighted by polarizability |

654 | SM2_Dz(p) | spectral moment of order 2 from Barysz matrix weighted by polarizability |

655 | SM3_Dz(p) | spectral moment of order 3 from Barysz matrix weighted by polarizability |

656 | SM4_Dz(p) | spectral moment of order 4 from Barysz matrix weighted by polarizability |

657 | SM5_Dz(p) | spectral moment of order 5 from Barysz matrix weighted by polarizability |

658 | SM6_Dz(p) | spectral moment of order 6 from Barysz matrix weighted by polarizability |

659 | VE1_Dz(p) | coefficient sum of the last eigenvector (absolute values) from Barysz matrix weighted by polarizability |

660 | VE2_Dz(p) | average coefficient of the last eigenvector (absolute values) from Barysz matrix weighted by polarizability |

661 | VE3_Dz(p) | logarithmic coefficient sum of the last eigenvector (absolute values) from Barysz matrix weighted by polarizability |

662 | VE1sign_Dz(p) | coefficient sum of the last eigenvector from Barysz matrix weighted by polarizability |

663 | VE2sign_Dz(p) | average coefficient of the last eigenvector from Barysz matrix weighted by polarizability |

664 | VE3sign_Dz(p) | logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by polarizability |

665 | VR1_Dz(p) | Randic-like eigenvector-based index from Barysz matrix weighted by polarizability |

666 | VR2_Dz(p) | normalized Randic-like eigenvector-based index from Barysz matrix weighted by polarizability |

667 | VR3_Dz(p) | logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by polarizability |

668 | Wi_Dz(i) | Wiener-like index from Barysz matrix weighted by ionization potential |

669 | WiA_Dz(i) | average Wiener-like index from Barysz matrix weighted by ionization potential |

670 | AVS_Dz(i) | average vertex sum from Barysz matrix weighted by ionization potential |

671 | H_Dz(i) | Harary-like index from Barysz matrix weighted by ionization potential |

672 | Chi_Dz(i) | Randic-like index from Barysz matrix weighted by ionization potential |

673 | ChiA_Dz(i) | average Randic-like index from Barysz matrix weighted by ionization potential |

674 | J_Dz(i) | Balaban-like index from Barysz matrix weighted by ionization potential |

675 | HyWi_Dz(i) | hyper-Wiener-like index (log function) from Barysz matrix weighted by ionization potential |

676 | SpAbs_Dz(i) | graph energy from Barysz matrix weighted by ionization potential |

677 | SpPos_Dz(i) | spectral positive sum from Barysz matrix weighted by ionization potential |

678 | SpPosA_Dz(i) | normalized spectral positive sum from Barysz matrix weighted by ionization potential |

679 | SpPosLog_Dz(i) | logarithmic spectral positive sum from Barysz matrix weighted by ionization potential |

680 | SpMax_Dz(i) | leading eigenvalue from Barysz matrix weighted by ionization potential |

681 | SpMaxA_Dz(i) | normalized leading eigenvalue from Barysz matrix weighted by ionization potential |

682 | SpDiam_Dz(i) | spectral diameter from Barysz matrix weighted by ionization potential |

683 | SpAD_Dz(i) | spectral absolute deviation from Barysz matrix weighted by ionization potential |

684 | SpMAD_Dz(i) | spectral mean absolute deviation from Barysz matrix weighted by ionization potential |

685 | Ho_Dz(i) | Hosoya-like index (log function) from Barysz matrix weighted by ionization potential |

686 | EE_Dz(i) | Estrada-like index (log function) from Barysz matrix weighted by ionization potential |

687 | SM1_Dz(i) | spectral moment of order 1 from Barysz matrix weighted by ionization potential |

688 | SM2_Dz(i) | spectral moment of order 2 from Barysz matrix weighted by ionization potential |

689 | SM3_Dz(i) | spectral moment of order 3 from Barysz matrix weighted by ionization potential |

690 | SM4_Dz(i) | spectral moment of order 4 from Barysz matrix weighted by ionization potential |

691 | SM5_Dz(i) | spectral moment of order 5 from Barysz matrix weighted by ionization potential |

692 | SM6_Dz(i) | spectral moment of order 6 from Barysz matrix weighted by ionization potential |

693 | VE1_Dz(i) | coefficient sum of the last eigenvector (absolute values) from Barysz matrix weighted by ionization potential |

694 | VE2_Dz(i) | average coefficient of the last eigenvector (absolute values) from Barysz matrix weighted by ionization potential |

695 | VE3_Dz(i) | logarithmic coefficient sum of the last eigenvector (absolute values) from Barysz matrix weighted by ionization potential |

696 | VE1sign_Dz(i) | coefficient sum of the last eigenvector from Barysz matrix weighted by ionization potential |

697 | VE2sign_Dz(i) | average coefficient of the last eigenvector from Barysz matrix weighted by ionization potential |

698 | VE3sign_Dz(i) | logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by ionization potential |

699 | VR1_Dz(i) | Randic-like eigenvector-based index from Barysz matrix weighted by ionization potential |

700 | VR2_Dz(i) | normalized Randic-like eigenvector-based index from Barysz matrix weighted by ionization potential |

701 | VR3_Dz(i) | logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by ionization potential |

702 | Wi_B(m) | Wiener-like index from Burden matrix weighted by mass |

703 | WiA_B(m) | average Wiener-like index from Burden matrix weighted by mass |

704 | AVS_B(m) | average vertex sum from Burden matrix weighted by mass |

705 | Chi_B(m) | Randic-like index from Burden matrix weighted by mass |

706 | ChiA_B(m) | average Randic-like index from Burden matrix weighted by mass |

707 | J_B(m) | Balaban-like index from Burden matrix weighted by mass |

708 | HyWi_B(m) | hyper-Wiener-like index (log function) from Burden matrix weighted by mass |

709 | SpAbs_B(m) | graph energy from Burden matrix weighted by mass |

710 | SpPos_B(m) | spectral positive sum from Burden matrix weighted by mass |

711 | SpPosA_B(m) | normalized spectral positive sum from Burden matrix weighted by mass |

712 | SpPosLog_B(m) | logarithmic spectral positive sum from Burden matrix weighted by mass |

713 | SpMax_B(m) | leading eigenvalue from Burden matrix weighted by mass |

714 | SpMaxA_B(m) | normalized leading eigenvalue from Burden matrix weighted by mass |

715 | SpDiam_B(m) | spectral diameter from Burden matrix weighted by mass |

716 | SpAD_B(m) | spectral absolute deviation from Burden matrix weighted by mass |

717 | SpMAD_B(m) | spectral mean absolute deviation from Burden matrix weighted by mass |

718 | Ho_B(m) | Hosoya-like index (log function) from Burden matrix weighted by mass |

719 | EE_B(m) | Estrada-like index (log function) from Burden matrix weighted by mass |

720 | SM1_B(m) | spectral moment of order 1 from Burden matrix weighted by mass |

721 | SM2_B(m) | spectral moment of order 2 from Burden matrix weighted by mass |

722 | SM3_B(m) | spectral moment of order 3 from Burden matrix weighted by mass |

723 | SM4_B(m) | spectral moment of order 4 from Burden matrix weighted by mass |

724 | SM5_B(m) | spectral moment of order 5 from Burden matrix weighted by mass |

725 | SM6_B(m) | spectral moment of order 6 from Burden matrix weighted by mass |

726 | VE1_B(m) | coefficient sum of the last eigenvector (absolute values) from Burden matrix weighted by mass |

727 | VE2_B(m) | average coefficient of the last eigenvector (absolute values) from Burden matrix weighted by mass |

728 | VE3_B(m) | logarithmic coefficient sum of the last eigenvector (absolute values) from Burden matrix weighted by mass |

729 | VE1sign_B(m) | coefficient sum of the last eigenvector from Burden matrix weighted by mass |

730 | VE2sign_B(m) | average coefficient of the last eigenvector from Burden matrix weighted by mass |

731 | VE3sign_B(m) | logarithmic coefficient sum of the last eigenvector from Burden matrix weighted by mass |

732 | VR1_B(m) | Randic-like eigenvector-based index from Burden matrix weighted by mass |

733 | VR2_B(m) | normalized Randic-like eigenvector-based index from Burden matrix weighted by mass |

734 | VR3_B(m) | logarithmic Randic-like eigenvector-based index from Burden matrix weighted by mass |

735 | Wi_B(v) | Wiener-like index from Burden matrix weighted by van der Waals volume |

736 | WiA_B(v) | average Wiener-like index from Burden matrix weighted by van der Waals volume |

737 | AVS_B(v) | average vertex sum from Burden matrix weighted by van der Waals volume |

738 | Chi_B(v) | Randic-like index from Burden matrix weighted by van der Waals volume |

739 | ChiA_B(v) | average Randic-like index from Burden matrix weighted by van der Waals volume |

740 | J_B(v) | Balaban-like index from Burden matrix weighted by van der Waals volume |

741 | HyWi_B(v) | hyper-Wiener-like index (log function) from Burden matrix weighted by van der Waals volume |

742 | SpAbs_B(v) | graph energy from Burden matrix weighted by van der Waals volume |

743 | SpPos_B(v) | spectral positive sum from Burden matrix weighted by van der Waals volume |

744 | SpPosA_B(v) | normalized spectral positive sum from Burden matrix weighted by van der Waals volume |

745 | SpPosLog_B(v) | logarithmic spectral positive sum from Burden matrix weighted by van der Waals volume |

746 | SpMax_B(v) | leading eigenvalue from Burden matrix weighted by van der Waals volume |

747 | SpMaxA_B(v) | normalized leading eigenvalue from Burden matrix weighted by van der Waals volume |

748 | SpDiam_B(v) | spectral diameter from Burden matrix weighted by van der Waals volume |

749 | SpAD_B(v) | spectral absolute deviation from Burden matrix weighted by van der Waals volume |

750 | SpMAD_B(v) | spectral mean absolute deviation from Burden matrix weighted by van der Waals volume |

751 | Ho_B(v) | Hosoya-like index (log function) from Burden matrix weighted by van der Waals volume |

752 | EE_B(v) | Estrada-like index (log function) from Burden matrix weighted by van der Waals volume |

753 | SM1_B(v) | spectral moment of order 1 from Burden matrix weighted by van der Waals volume |

754 | SM2_B(v) | spectral moment of order 2 from Burden matrix weighted by van der Waals volume |

755 | SM3_B(v) | spectral moment of order 3 from Burden matrix weighted by van der Waals volume |

756 | SM4_B(v) | spectral moment of order 4 from Burden matrix weighted by van der Waals volume |

757 | SM5_B(v) | spectral moment of order 5 from Burden matrix weighted by van der Waals volume |

758 | SM6_B(v) | spectral moment of order 6 from Burden matrix weighted by van der Waals volume |

759 | VE1_B(v) | coefficient sum of the last eigenvector (absolute values) from Burden matrix weighted by van der Waals volume |

760 | VE2_B(v) | average coefficient of the last eigenvector (absolute values) from Burden matrix weighted by van der Waals volume |

761 | VE3_B(v) | logarithmic coefficient sum of the last eigenvector (absolute values) from Burden matrix weighted by van der Waals volume |

762 | VE1sign_B(v) | coefficient sum of the last eigenvector from Burden matrix weighted by van der Waals volume |

763 | VE2sign_B(v) | average coefficient of the last eigenvector from Burden matrix weighted by van der Waals volume |

764 | VE3sign_B(v) | logarithmic coefficient sum of the last eigenvector from Burden matrix weighted by van der Waals volume |

765 | VR1_B(v) | Randic-like eigenvector-based index from Burden matrix weighted by van der Waals volume |

766 | VR2_B(v) | normalized Randic-like eigenvector-based index from Burden matrix weighted by van der Waals volume |

767 | VR3_B(v) | logarithmic Randic-like eigenvector-based index from Burden matrix weighted by van der Waals volume |

768 | Wi_B(e) | Wiener-like index from Burden matrix weighted by Sanderson electronegativity |

769 | WiA_B(e) | average Wiener-like index from Burden matrix weighted by Sanderson electronegativity |

770 | AVS_B(e) | average vertex sum from Burden matrix weighted by Sanderson electronegativity |

771 | Chi_B(e) | Randic-like index from Burden matrix weighted by Sanderson electronegativity |

772 | ChiA_B(e) | average Randic-like index from Burden matrix weighted by Sanderson electronegativity |

773 | J_B(e) | Balaban-like index from Burden matrix weighted by Sanderson electronegativity |

774 | HyWi_B(e) | hyper-Wiener-like index (log function) from Burden matrix weighted by Sanderson electronegativity |

775 | SpAbs_B(e) | graph energy from Burden matrix weighted by Sanderson electronegativity |

776 | SpPos_B(e) | spectral positive sum from Burden matrix weighted by Sanderson electronegativity |

777 | SpPosA_B(e) | normalized spectral positive sum from Burden matrix weighted by Sanderson electronegativity |

778 | SpPosLog_B(e) | logarithmic spectral positive sum from Burden matrix weighted by Sanderson electronegativity |

779 | SpMax_B(e) | leading eigenvalue from Burden matrix weighted by Sanderson electronegativity |

780 | SpMaxA_B(e) | normalized leading eigenvalue from Burden matrix weighted by Sanderson electronegativity |

781 | SpDiam_B(e) | spectral diameter from Burden matrix weighted by Sanderson electronegativity |

782 | SpAD_B(e) | spectral absolute deviation from Burden matrix weighted by Sanderson electronegativity |

783 | SpMAD_B(e) | spectral mean absolute deviation from Burden matrix weighted by Sanderson electronegativity |

784 | Ho_B(e) | Hosoya-like index (log function) from Burden matrix weighted by Sanderson electronegativity |

785 | EE_B(e) | Estrada-like index (log function) from Burden matrix weighted by Sanderson electronegativity |

786 | SM1_B(e) | spectral moment of order 1 from Burden matrix weighted by Sanderson electronegativity |

787 | SM2_B(e) | spectral moment of order 2 from Burden matrix weighted by Sanderson electronegativity |

788 | SM3_B(e) | spectral moment of order 3 from Burden matrix weighted by Sanderson electronegativity |

789 | SM4_B(e) | spectral moment of order 4 from Burden matrix weighted by Sanderson electronegativity |

790 | SM5_B(e) | spectral moment of order 5 from Burden matrix weighted by Sanderson electronegativity |

791 | SM6_B(e) | spectral moment of order 6 from Burden matrix weighted by Sanderson electronegativity |

792 | VE1_B(e) | coefficient sum of the last eigenvector (absolute values) from Burden matrix weighted by Sanderson electronegativity |

793 | VE2_B(e) | average coefficient of the last eigenvector (absolute values) from Burden matrix weighted by Sanderson electronegativity |

794 | VE3_B(e) | logarithmic coefficient sum of the last eigenvector (absolute values) from Burden matrix weighted by Sanderson electronegativity |

795 | VE1sign_B(e) | coefficient sum of the last eigenvector from Burden matrix weighted by Sanderson electronegativity |

796 | VE2sign_B(e) | average coefficient of the last eigenvector from Burden matrix weighted by Sanderson electronegativity |

797 | VE3sign_B(e) | logarithmic coefficient sum of the last eigenvector from Burden matrix weighted by Sanderson electronegativity |

798 | VR1_B(e) | Randic-like eigenvector-based index from Burden matrix weighted by Sanderson electronegativity |

799 | VR2_B(e) | normalized Randic-like eigenvector-based index from Burden matrix weighted by Sanderson electronegativity |

800 | VR3_B(e) | logarithmic Randic-like eigenvector-based index from Burden matrix weighted by Sanderson electronegativity |

801 | Wi_B(p) | Wiener-like index from Burden matrix weighted by polarizability |

802 | WiA_B(p) | average Wiener-like index from Burden matrix weighted by polarizability |

803 | AVS_B(p) | average vertex sum from Burden matrix weighted by polarizability |

804 | Chi_B(p) | Randic-like index from Burden matrix weighted by polarizability |

805 | ChiA_B(p) | average Randic-like index from Burden matrix weighted by polarizability |

806 | J_B(p) | Balaban-like index from Burden matrix weighted by polarizability |

807 | HyWi_B(p) | hyper-Wiener-like index (log function) from Burden matrix weighted by polarizability |

808 | SpAbs_B(p) | graph energy from Burden matrix weighted by polarizability |

809 | SpPos_B(p) | spectral positive sum from Burden matrix weighted by polarizability |

810 | SpPosA_B(p) | normalized spectral positive sum from Burden matrix weighted by polarizability |

811 | SpPosLog_B(p) | logarithmic spectral positive sum from Burden matrix weighted by polarizability |

812 | SpMax_B(p) | leading eigenvalue from Burden matrix weighted by polarizability |

813 | SpMaxA_B(p) | normalized leading eigenvalue from Burden matrix weighted by polarizability |

814 | SpDiam_B(p) | spectral diameter from Burden matrix weighted by polarizability |

815 | SpAD_B(p) | spectral absolute deviation from Burden matrix weighted by polarizability |

816 | SpMAD_B(p) | spectral mean absolute deviation from Burden matrix weighted by polarizability |

817 | Ho_B(p) | Hosoya-like index (log function) from Burden matrix weighted by polarizability |

818 | EE_B(p) | Estrada-like index (log function) from Burden matrix weighted by polarizability |

819 | SM1_B(p) | spectral moment of order 1 from Burden matrix weighted by polarizability |

820 | SM2_B(p) | spectral moment of order 2 from Burden matrix weighted by polarizability |

821 | SM3_B(p) | spectral moment of order 3 from Burden matrix weighted by polarizability |

822 | SM4_B(p) | spectral moment of order 4 from Burden matrix weighted by polarizability |

823 | SM5_B(p) | spectral moment of order 5 from Burden matrix weighted by polarizability |

824 | SM6_B(p) | spectral moment of order 6 from Burden matrix weighted by polarizability |

825 | VE1_B(p) | coefficient sum of the last eigenvector (absolute values) from Burden matrix weighted by polarizability |

826 | VE2_B(p) | average coefficient of the last eigenvector (absolute values) from Burden matrix weighted by polarizability |

827 | VE3_B(p) | logarithmic coefficient sum of the last eigenvector (absolute values) from Burden matrix weighted by polarizability |

828 | VE1sign_B(p) | coefficient sum of the last eigenvector from Burden matrix weighted by polarizability |

829 | VE2sign_B(p) | average coefficient of the last eigenvector from Burden matrix weighted by polarizability |

830 | VE3sign_B(p) | logarithmic coefficient sum of the last eigenvector from Burden matrix weighted by polarizability |

831 | VR1_B(p) | Randic-like eigenvector-based index from Burden matrix weighted by polarizability |

832 | VR2_B(p) | normalized Randic-like eigenvector-based index from Burden matrix weighted by polarizability |

833 | VR3_B(p) | logarithmic Randic-like eigenvector-based index from Burden matrix weighted by polarizability |

834 | Wi_B(i) | Wiener-like index from Burden matrix weighted by ionization potential |

835 | WiA_B(i) | average Wiener-like index from Burden matrix weighted by ionization potential |

836 | AVS_B(i) | average vertex sum from Burden matrix weighted by ionization potential |

837 | Chi_B(i) | Randic-like index from Burden matrix weighted by ionization potential |

838 | ChiA_B(i) | average Randic-like index from Burden matrix weighted by ionization potential |

839 | J_B(i) | Balaban-like index from Burden matrix weighted by ionization potential |

840 | HyWi_B(i) | hyper-Wiener-like index (log function) from Burden matrix weighted by ionization potential |

841 | SpAbs_B(i) | graph energy from Burden matrix weighted by ionization potential |

842 | SpPos_B(i) | spectral positive sum from Burden matrix weighted by ionization potential |

843 | SpPosA_B(i) | normalized spectral positive sum from Burden matrix weighted by ionization potential |

844 | SpPosLog_B(i) | logarithmic spectral positive sum from Burden matrix weighted by ionization potential |

845 | SpMax_B(i) | leading eigenvalue from Burden matrix weighted by ionization potential |

846 | SpMaxA_B(i) | normalized leading eigenvalue from Burden matrix weighted by ionization potential |

847 | SpDiam_B(i) | spectral diameter from Burden matrix weighted by ionization potential |

848 | SpAD_B(i) | spectral absolute deviation from Burden matrix weighted by ionization potential |

849 | SpMAD_B(i) | spectral mean absolute deviation from Burden matrix weighted by ionization potential |

850 | Ho_B(i) | Hosoya-like index (log function) from Burden matrix weighted by ionization potential |

851 | EE_B(i) | Estrada-like index (log function) from Burden matrix weighted by ionization potential |

852 | SM1_B(i) | spectral moment of order 1 from Burden matrix weighted by ionization potential |

853 | SM2_B(i) | spectral moment of order 2 from Burden matrix weighted by ionization potential |

854 | SM3_B(i) | spectral moment of order 3 from Burden matrix weighted by ionization potential |

855 | SM4_B(i) | spectral moment of order 4 from Burden matrix weighted by ionization potential |

856 | SM5_B(i) | spectral moment of order 5 from Burden matrix weighted by ionization potential |

857 | SM6_B(i) | spectral moment of order 6 from Burden matrix weighted by ionization potential |

858 | VE1_B(i) | coefficient sum of the last eigenvector (absolute values) from Burden matrix weighted by ionization potential |

859 | VE2_B(i) | average coefficient of the last eigenvector (absolute values) from Burden matrix weighted by ionization potential |

860 | VE3_B(i) | logarithmic coefficient sum of the last eigenvector (absolute values) from Burden matrix weighted by ionization potential |

861 | VE1sign_B(i) | coefficient sum of the last eigenvector from Burden matrix weighted by ionization potential |

862 | VE2sign_B(i) | average coefficient of the last eigenvector from Burden matrix weighted by ionization potential |

863 | VE3sign_B(i) | logarithmic coefficient sum of the last eigenvector from Burden matrix weighted by ionization potential |

864 | VR1_B(i) | Randic-like eigenvector-based index from Burden matrix weighted by ionization potential |

865 | VR2_B(i) | normalized Randic-like eigenvector-based index from Burden matrix weighted by ionization potential |

866 | VR3_B(i) | logarithmic Randic-like eigenvector-based index from Burden matrix weighted by ionization potential |

867 | Wi_B(s) | Wiener-like index from Burden matrix weighted by I-State |

868 | WiA_B(s) | average Wiener-like index from Burden matrix weighted by I-State |

869 | AVS_B(s) | average vertex sum from Burden matrix weighted by I-State |

870 | Chi_B(s) | Randic-like index from Burden matrix weighted by I-State |

871 | ChiA_B(s) | average Randic-like index from Burden matrix weighted by I-State |

872 | J_B(s) | Balaban-like index from Burden matrix weighted by I-State |

873 | HyWi_B(s) | hyper-Wiener-like index (log function) from Burden matrix weighted by I-State |

874 | SpAbs_B(s) | graph energy from Burden matrix weighted by I-State |

875 | SpPos_B(s) | spectral positive sum from Burden matrix weighted by I-State |

876 | SpPosA_B(s) | normalized spectral positive sum from Burden matrix weighted by I-State |

877 | SpPosLog_B(s) | logarithmic spectral positive sum from Burden matrix weighted by I-State |

878 | SpMax_B(s) | leading eigenvalue from Burden matrix weighted by I-State |

879 | SpMaxA_B(s) | normalized leading eigenvalue from Burden matrix weighted by I-State |

880 | SpDiam_B(s) | spectral diameter from Burden matrix weighted by I-State |

881 | SpAD_B(s) | spectral absolute deviation from Burden matrix weighted by I-State |

882 | SpMAD_B(s) | spectral mean absolute deviation from Burden matrix weighted by I-State |

883 | Ho_B(s) | Hosoya-like index (log function) from Burden matrix weighted by I-State |

884 | EE_B(s) | Estrada-like index (log function) from Burden matrix weighted by I-State |

885 | SM1_B(s) | spectral moment of order 1 from Burden matrix weighted by I-State |

886 | SM2_B(s) | spectral moment of order 2 from Burden matrix weighted by I-State |

887 | SM3_B(s) | spectral moment of order 3 from Burden matrix weighted by I-State |

888 | SM4_B(s) | spectral moment of order 4 from Burden matrix weighted by I-State |

889 | SM5_B(s) | spectral moment of order 5 from Burden matrix weighted by I-State |

890 | SM6_B(s) | spectral moment of order 6 from Burden matrix weighted by I-State |

891 | VE1_B(s) | coefficient sum of the last eigenvector (absolute values) from Burden matrix weighted by I-State |

892 | VE2_B(s) | average coefficient of the last eigenvector (absolute values) from Burden matrix weighted by I-State |

893 | VE3_B(s) | logarithmic coefficient sum of the last eigenvector (absolute values) from Burden matrix weighted by I-State |

894 | VE1sign_B(s) | coefficient sum of the last eigenvector from Burden matrix weighted by I-State |

895 | VE2sign_B(s) | average coefficient of the last eigenvector from Burden matrix weighted by I-State |

896 | VE3sign_B(s) | logarithmic coefficient sum of the last eigenvector from Burden matrix weighted by I-State |

897 | VR1_B(s) | Randic-like eigenvector-based index from Burden matrix weighted by I-State |

898 | VR2_B(s) | normalized Randic-like eigenvector-based index from Burden matrix weighted by I-State |

899 | VR3_B(s) | logarithmic Randic-like eigenvector-based index from Burden matrix weighted by I-State |

## 2D autocorrelations

No. | Name | Description |
---|---|---|

900 | ATS1m | Broto-Moreau autocorrelation of lag 1 (log function) weighted by mass |

901 | ATS2m | Broto-Moreau autocorrelation of lag 2 (log function) weighted by mass |

902 | ATS3m | Broto-Moreau autocorrelation of lag 3 (log function) weighted by mass |

903 | ATS4m | Broto-Moreau autocorrelation of lag 4 (log function) weighted by mass |

904 | ATS5m | Broto-Moreau autocorrelation of lag 5 (log function) weighted by mass |

905 | ATS6m | Broto-Moreau autocorrelation of lag 6 (log function) weighted by mass |

906 | ATS7m | Broto-Moreau autocorrelation of lag 7 (log function) weighted by mass |

907 | ATS8m | Broto-Moreau autocorrelation of lag 8 (log function) weighted by mass |

908 | ATS1v | Broto-Moreau autocorrelation of lag 1 (log function) weighted by van der Waals volume |

909 | ATS2v | Broto-Moreau autocorrelation of lag 2 (log function) weighted by van der Waals volume |

910 | ATS3v | Broto-Moreau autocorrelation of lag 3 (log function) weighted by van der Waals volume |

911 | ATS4v | Broto-Moreau autocorrelation of lag 4 (log function) weighted by van der Waals volume |

912 | ATS5v | Broto-Moreau autocorrelation of lag 5 (log function) weighted by van der Waals volume |

913 | ATS6v | Broto-Moreau autocorrelation of lag 6 (log function) weighted by van der Waals volume |

914 | ATS7v | Broto-Moreau autocorrelation of lag 7 (log function) weighted by van der Waals volume |

915 | ATS8v | Broto-Moreau autocorrelation of lag 8 (log function) weighted by van der Waals volume |

916 | ATS1e | Broto-Moreau autocorrelation of lag 1 (log function) weighted by Sanderson electronegativity |

917 | ATS2e | Broto-Moreau autocorrelation of lag 2 (log function) weighted by Sanderson electronegativity |

918 | ATS3e | Broto-Moreau autocorrelation of lag 3 (log function) weighted by Sanderson electronegativity |

919 | ATS4e | Broto-Moreau autocorrelation of lag 4 (log function) weighted by Sanderson electronegativity |

920 | ATS5e | Broto-Moreau autocorrelation of lag 5 (log function) weighted by Sanderson electronegativity |

921 | ATS6e | Broto-Moreau autocorrelation of lag 6 (log function) weighted by Sanderson electronegativity |

922 | ATS7e | Broto-Moreau autocorrelation of lag 7 (log function) weighted by Sanderson electronegativity |

923 | ATS8e | Broto-Moreau autocorrelation of lag 8 (log function) weighted by Sanderson electronegativity |

924 | ATS1p | Broto-Moreau autocorrelation of lag 1 (log function) weighted by polarizability |

925 | ATS2p | Broto-Moreau autocorrelation of lag 2 (log function) weighted by polarizability |

926 | ATS3p | Broto-Moreau autocorrelation of lag 3 (log function) weighted by polarizability |

927 | ATS4p | Broto-Moreau autocorrelation of lag 4 (log function) weighted by polarizability |

928 | ATS5p | Broto-Moreau autocorrelation of lag 5 (log function) weighted by polarizability |

929 | ATS6p | Broto-Moreau autocorrelation of lag 6 (log function) weighted by polarizability |

930 | ATS7p | Broto-Moreau autocorrelation of lag 7 (log function) weighted by polarizability |

931 | ATS8p | Broto-Moreau autocorrelation of lag 8 (log function) weighted by polarizability |

932 | ATS1i | Broto-Moreau autocorrelation of lag 1 (log function) weighted by ionization potential |

933 | ATS2i | Broto-Moreau autocorrelation of lag 2 (log function) weighted by ionization potential |

934 | ATS3i | Broto-Moreau autocorrelation of lag 3 (log function) weighted by ionization potential |

935 | ATS4i | Broto-Moreau autocorrelation of lag 4 (log function) weighted by ionization potential |

936 | ATS5i | Broto-Moreau autocorrelation of lag 5 (log function) weighted by ionization potential |

937 | ATS6i | Broto-Moreau autocorrelation of lag 6 (log function) weighted by ionization potential |

938 | ATS7i | Broto-Moreau autocorrelation of lag 7 (log function) weighted by ionization potential |

939 | ATS8i | Broto-Moreau autocorrelation of lag 8 (log function) weighted by ionization potential |

940 | ATS1s | Broto-Moreau autocorrelation of lag 1 (log function) weighted by I-state |

941 | ATS2s | Broto-Moreau autocorrelation of lag 2 (log function) weighted by I-state |

942 | ATS3s | Broto-Moreau autocorrelation of lag 3 (log function) weighted by I-state |

943 | ATS4s | Broto-Moreau autocorrelation of lag 4 (log function) weighted by I-state |

944 | ATS5s | Broto-Moreau autocorrelation of lag 5 (log function) weighted by I-state |

945 | ATS6s | Broto-Moreau autocorrelation of lag 6 (log function) weighted by I-state |

946 | ATS7s | Broto-Moreau autocorrelation of lag 7 (log function) weighted by I-state |

947 | ATS8s | Broto-Moreau autocorrelation of lag 8 (log function) weighted by I-state |

948 | ATSC1m | Centred Broto-Moreau autocorrelation of lag 1 weighted by mass |

949 | ATSC2m | Centred Broto-Moreau autocorrelation of lag 2 weighted by mass |

950 | ATSC3m | Centred Broto-Moreau autocorrelation of lag 3 weighted by mass |

951 | ATSC4m | Centred Broto-Moreau autocorrelation of lag 4 weighted by mass |

952 | ATSC5m | Centred Broto-Moreau autocorrelation of lag 5 weighted by mass |

953 | ATSC6m | Centred Broto-Moreau autocorrelation of lag 6 weighted by mass |

954 | ATSC7m | Centred Broto-Moreau autocorrelation of lag 7 weighted by mass |

955 | ATSC8m | Centred Broto-Moreau autocorrelation of lag 8 weighted by mass |

956 | ATSC1v | Centred Broto-Moreau autocorrelation of lag 1 weighted by van der Waals volume |

957 | ATSC2v | Centred Broto-Moreau autocorrelation of lag 2 weighted by van der Waals volume |

958 | ATSC3v | Centred Broto-Moreau autocorrelation of lag 3 weighted by van der Waals volume |

959 | ATSC4v | Centred Broto-Moreau autocorrelation of lag 4 weighted by van der Waals volume |

960 | ATSC5v | Centred Broto-Moreau autocorrelation of lag 5 weighted by van der Waals volume |

961 | ATSC6v | Centred Broto-Moreau autocorrelation of lag 6 weighted by van der Waals volume |

962 | ATSC7v | Centred Broto-Moreau autocorrelation of lag 7 weighted by van der Waals volume |

963 | ATSC8v | Centred Broto-Moreau autocorrelation of lag 8 weighted by van der Waals volume |

964 | ATSC1e | Centred Broto-Moreau autocorrelation of lag 1 weighted by Sanderson electronegativity |

965 | ATSC2e | Centred Broto-Moreau autocorrelation of lag 2 weighted by Sanderson electronegativity |

966 | ATSC3e | Centred Broto-Moreau autocorrelation of lag 3 weighted by Sanderson electronegativity |

967 | ATSC4e | Centred Broto-Moreau autocorrelation of lag 4 weighted by Sanderson electronegativity |

968 | ATSC5e | Centred Broto-Moreau autocorrelation of lag 5 weighted by Sanderson electronegativity |

969 | ATSC6e | Centred Broto-Moreau autocorrelation of lag 6 weighted by Sanderson electronegativity |

970 | ATSC7e | Centred Broto-Moreau autocorrelation of lag 7 weighted by Sanderson electronegativity |

971 | ATSC8e | Centred Broto-Moreau autocorrelation of lag 8 weighted by Sanderson electronegativity |

972 | ATSC1p | Centred Broto-Moreau autocorrelation of lag 1 weighted by polarizability |

973 | ATSC2p | Centred Broto-Moreau autocorrelation of lag 2 weighted by polarizability |

974 | ATSC3p | Centred Broto-Moreau autocorrelation of lag 3 weighted by polarizability |

975 | ATSC4p | Centred Broto-Moreau autocorrelation of lag 4 weighted by polarizability |

976 | ATSC5p | Centred Broto-Moreau autocorrelation of lag 5 weighted by polarizability |

977 | ATSC6p | Centred Broto-Moreau autocorrelation of lag 6 weighted by polarizability |

978 | ATSC7p | Centred Broto-Moreau autocorrelation of lag 7 weighted by polarizability |

979 | ATSC8p | Centred Broto-Moreau autocorrelation of lag 8 weighted by polarizability |

980 | ATSC1i | Centred Broto-Moreau autocorrelation of lag 1 weighted by ionization potential |

981 | ATSC2i | Centred Broto-Moreau autocorrelation of lag 2 weighted by ionization potential |

982 | ATSC3i | Centred Broto-Moreau autocorrelation of lag 3 weighted by ionization potential |

983 | ATSC4i | Centred Broto-Moreau autocorrelation of lag 4 weighted by ionization potential |

984 | ATSC5i | Centred Broto-Moreau autocorrelation of lag 5 weighted by ionization potential |

985 | ATSC6i | Centred Broto-Moreau autocorrelation of lag 6 weighted by ionization potential |

986 | ATSC7i | Centred Broto-Moreau autocorrelation of lag 7 weighted by ionization potential |

987 | ATSC8i | Centred Broto-Moreau autocorrelation of lag 8 weighted by ionization potential |

988 | ATSC1s | Centred Broto-Moreau autocorrelation of lag 1 weighted by I-state |

989 | ATSC2s | Centred Broto-Moreau autocorrelation of lag 2 weighted by I-state |

990 | ATSC3s | Centred Broto-Moreau autocorrelation of lag 3 weighted by I-state |

991 | ATSC4s | Centred Broto-Moreau autocorrelation of lag 4 weighted by I-state |

992 | ATSC5s | Centred Broto-Moreau autocorrelation of lag 5 weighted by I-state |

993 | ATSC6s | Centred Broto-Moreau autocorrelation of lag 6 weighted by I-state |

994 | ATSC7s | Centred Broto-Moreau autocorrelation of lag 7 weighted by I-state |

995 | ATSC8s | Centred Broto-Moreau autocorrelation of lag 8 weighted by I-state |

996 | MATS1m | Moran autocorrelation of lag 1 weighted by mass |

997 | MATS2m | Moran autocorrelation of lag 2 weighted by mass |

998 | MATS3m | Moran autocorrelation of lag 3 weighted by mass |

999 | MATS4m | Moran autocorrelation of lag 4 weighted by mass |

1000 | MATS5m | Moran autocorrelation of lag 5 weighted by mass |

1001 | MATS6m | Moran autocorrelation of lag 6 weighted by mass |

1002 | MATS7m | Moran autocorrelation of lag 7 weighted by mass |

1003 | MATS8m | Moran autocorrelation of lag 8 weighted by mass |

1004 | MATS1v | Moran autocorrelation of lag 1 weighted by van der Waals volume |

1005 | MATS2v | Moran autocorrelation of lag 2 weighted by van der Waals volume |

1006 | MATS3v | Moran autocorrelation of lag 3 weighted by van der Waals volume |

1007 | MATS4v | Moran autocorrelation of lag 4 weighted by van der Waals volume |

1008 | MATS5v | Moran autocorrelation of lag 5 weighted by van der Waals volume |

1009 | MATS6v | Moran autocorrelation of lag 6 weighted by van der Waals volume |

1010 | MATS7v | Moran autocorrelation of lag 7 weighted by van der Waals volume |

1011 | MATS8v | Moran autocorrelation of lag 8 weighted by van der Waals volume |

1012 | MATS1e | Moran autocorrelation of lag 1 weighted by Sanderson electronegativity |

1013 | MATS2e | Moran autocorrelation of lag 2 weighted by Sanderson electronegativity |

1014 | MATS3e | Moran autocorrelation of lag 3 weighted by Sanderson electronegativity |

1015 | MATS4e | Moran autocorrelation of lag 4 weighted by Sanderson electronegativity |

1016 | MATS5e | Moran autocorrelation of lag 5 weighted by Sanderson electronegativity |

1017 | MATS6e | Moran autocorrelation of lag 6 weighted by Sanderson electronegativity |

1018 | MATS7e | Moran autocorrelation of lag 7 weighted by Sanderson electronegativity |

1019 | MATS8e | Moran autocorrelation of lag 8 weighted by Sanderson electronegativity |

1020 | MATS1p | Moran autocorrelation of lag 1 weighted by polarizability |

1021 | MATS2p | Moran autocorrelation of lag 2 weighted by polarizability |

1022 | MATS3p | Moran autocorrelation of lag 3 weighted by polarizability |

1023 | MATS4p | Moran autocorrelation of lag 4 weighted by polarizability |

1024 | MATS5p | Moran autocorrelation of lag 5 weighted by polarizability |

1025 | MATS6p | Moran autocorrelation of lag 6 weighted by polarizability |

1026 | MATS7p | Moran autocorrelation of lag 7 weighted by polarizability |

1027 | MATS8p | Moran autocorrelation of lag 8 weighted by polarizability |

1028 | MATS1i | Moran autocorrelation of lag 1 weighted by ionization potential |

1029 | MATS2i | Moran autocorrelation of lag 2 weighted by ionization potential |

1030 | MATS3i | Moran autocorrelation of lag 3 weighted by ionization potential |

1031 | MATS4i | Moran autocorrelation of lag 4 weighted by ionization potential |

1032 | MATS5i | Moran autocorrelation of lag 5 weighted by ionization potential |

1033 | MATS6i | Moran autocorrelation of lag 6 weighted by ionization potential |

1034 | MATS7i | Moran autocorrelation of lag 7 weighted by ionization potential |

1035 | MATS8i | Moran autocorrelation of lag 8 weighted by ionization potential |

1036 | MATS1s | Moran autocorrelation of lag 1 weighted by I-state |

1037 | MATS2s | Moran autocorrelation of lag 2 weighted by I-state |

1038 | MATS3s | Moran autocorrelation of lag 3 weighted by I-state |

1039 | MATS4s | Moran autocorrelation of lag 4 weighted by I-state |

1040 | MATS5s | Moran autocorrelation of lag 5 weighted by I-state |

1041 | MATS6s | Moran autocorrelation of lag 6 weighted by I-state |

1042 | MATS7s | Moran autocorrelation of lag 7 weighted by I-state |

1043 | MATS8s | Moran autocorrelation of lag 8 weighted by I-state |

1044 | GATS1m | Geary autocorrelation of lag 1 weighted by mass |

1045 | GATS2m | Geary autocorrelation of lag 2 weighted by mass |

1046 | GATS3m | Geary autocorrelation of lag 3 weighted by mass |

1047 | GATS4m | Geary autocorrelation of lag 4 weighted by mass |

1048 | GATS5m | Geary autocorrelation of lag 5 weighted by mass |

1049 | GATS6m | Geary autocorrelation of lag 6 weighted by mass |

1050 | GATS7m | Geary autocorrelation of lag 7 weighted by mass |

1051 | GATS8m | Geary autocorrelation of lag 8 weighted by mass |

1052 | GATS1v | Geary autocorrelation of lag 1 weighted by van der Waals volume |

1053 | GATS2v | Geary autocorrelation of lag 2 weighted by van der Waals volume |

1054 | GATS3v | Geary autocorrelation of lag 3 weighted by van der Waals volume |

1055 | GATS4v | Geary autocorrelation of lag 4 weighted by van der Waals volume |

1056 | GATS5v | Geary autocorrelation of lag 5 weighted by van der Waals volume |

1057 | GATS6v | Geary autocorrelation of lag 6 weighted by van der Waals volume |

1058 | GATS7v | Geary autocorrelation of lag 7 weighted by van der Waals volume |

1059 | GATS8v | Geary autocorrelation of lag 8 weighted by van der Waals volume |

1060 | GATS1e | Geary autocorrelation of lag 1 weighted by Sanderson electronegativity |

1061 | GATS2e | Geary autocorrelation of lag 2 weighted by Sanderson electronegativity |

1062 | GATS3e | Geary autocorrelation of lag 3 weighted by Sanderson electronegativity |

1063 | GATS4e | Geary autocorrelation of lag 4 weighted by Sanderson electronegativity |

1064 | GATS5e | Geary autocorrelation of lag 5 weighted by Sanderson electronegativity |

1065 | GATS6e | Geary autocorrelation of lag 6 weighted by Sanderson electronegativity |

1066 | GATS7e | Geary autocorrelation of lag 7 weighted by Sanderson electronegativity |

1067 | GATS8e | Geary autocorrelation of lag 8 weighted by Sanderson electronegativity |

1068 | GATS1p | Geary autocorrelation of lag 1 weighted by polarizability |

1069 | GATS2p | Geary autocorrelation of lag 2 weighted by polarizability |

1070 | GATS3p | Geary autocorrelation of lag 3 weighted by polarizability |

1071 | GATS4p | Geary autocorrelation of lag 4 weighted by polarizability |

1072 | GATS5p | Geary autocorrelation of lag 5 weighted by polarizability |

1073 | GATS6p | Geary autocorrelation of lag 6 weighted by polarizability |

1074 | GATS7p | Geary autocorrelation of lag 7 weighted by polarizability |

1075 | GATS8p | Geary autocorrelation of lag 8 weighted by polarizability |

1076 | GATS1i | Geary autocorrelation of lag 1 weighted by ionization potential |

1077 | GATS2i | Geary autocorrelation of lag 2 weighted by ionization potential |

1078 | GATS3i | Geary autocorrelation of lag 3 weighted by ionization potential |

1079 | GATS4i | Geary autocorrelation of lag 4 weighted by ionization potential |

1080 | GATS5i | Geary autocorrelation of lag 5 weighted by ionization potential |

1081 | GATS6i | Geary autocorrelation of lag 6 weighted by ionization potential |

1082 | GATS7i | Geary autocorrelation of lag 7 weighted by ionization potential |

1083 | GATS8i | Geary autocorrelation of lag 8 weighted by ionization potential |

1084 | GATS1s | Geary autocorrelation of lag 1 weighted by I-state |

1085 | GATS2s | Geary autocorrelation of lag 2 weighted by I-state |

1086 | GATS3s | Geary autocorrelation of lag 3 weighted by I-state |

1087 | GATS4s | Geary autocorrelation of lag 4 weighted by I-state |

1088 | GATS5s | Geary autocorrelation of lag 5 weighted by I-state |

1089 | GATS6s | Geary autocorrelation of lag 6 weighted by I-state |

1090 | GATS7s | Geary autocorrelation of lag 7 weighted by I-state |

1091 | GATS8s | Geary autocorrelation of lag 8 weighted by I-state |

1092 | GGI1 | topological charge index of order 1 |

1093 | GGI2 | topological charge index of order 2 |

1094 | GGI3 | topological charge index of order 3 |

1095 | GGI4 | topological charge index of order 4 |

1096 | GGI5 | topological charge index of order 5 |

1097 | GGI6 | topological charge index of order 6 |

1098 | GGI7 | topological charge index of order 7 |

1099 | GGI8 | topological charge index of order 8 |

1100 | GGI9 | topological charge index of order 9 |

1101 | GGI10 | topological charge index of order 10 |

1102 | JGI1 | mean topological charge index of order 1 |

1103 | JGI2 | mean topological charge index of order 2 |

1104 | JGI3 | mean topological charge index of order 3 |

1105 | JGI4 | mean topological charge index of order 4 |

1106 | JGI5 | mean topological charge index of order 5 |

1107 | JGI6 | mean topological charge index of order 6 |

1108 | JGI7 | mean topological charge index of order 7 |

1109 | JGI8 | mean topological charge index of order 8 |

1110 | JGI9 | mean topological charge index of order 9 |

1111 | JGI10 | mean topological charge index of order 10 |

1112 | JGT | global topological charge index |

## Burden eigenvalues

No. | Name | Description |
---|---|---|

1113 | SpMax1_Bh(m) | largest eigenvalue n. 1 of Burden matrix weighted by mass |

1114 | SpMax2_Bh(m) | largest eigenvalue n. 2 of Burden matrix weighted by mass |

1115 | SpMax3_Bh(m) | largest eigenvalue n. 3 of Burden matrix weighted by mass |

1116 | SpMax4_Bh(m) | largest eigenvalue n. 4 of Burden matrix weighted by mass |

1117 | SpMax5_Bh(m) | largest eigenvalue n. 5 of Burden matrix weighted by mass |

1118 | SpMax6_Bh(m) | largest eigenvalue n. 6 of Burden matrix weighted by mass |

1119 | SpMax7_Bh(m) | largest eigenvalue n. 7 of Burden matrix weighted by mass |

1120 | SpMax8_Bh(m) | largest eigenvalue n. 8 of Burden matrix weighted by mass |

1121 | SpMax1_Bh(v) | largest eigenvalue n. 1 of Burden matrix weighted by van der Waals volume |

1122 | SpMax2_Bh(v) | largest eigenvalue n. 2 of Burden matrix weighted by van der Waals volume |

1123 | SpMax3_Bh(v) | largest eigenvalue n. 3 of Burden matrix weighted by van der Waals volume |

1124 | SpMax4_Bh(v) | largest eigenvalue n. 4 of Burden matrix weighted by van der Waals volume |

1125 | SpMax5_Bh(v) | largest eigenvalue n. 5 of Burden matrix weighted by van der Waals volume |

1126 | SpMax6_Bh(v) | largest eigenvalue n. 6 of Burden matrix weighted by van der Waals volume |

1127 | SpMax7_Bh(v) | largest eigenvalue n. 7 of Burden matrix weighted by van der Waals volume |

1128 | SpMax8_Bh(v) | largest eigenvalue n. 8 of Burden matrix weighted by van der Waals volume |

1129 | SpMax1_Bh(e) | largest eigenvalue n. 1 of Burden matrix weighted by Sanderson electronegativity |

1130 | SpMax2_Bh(e) | largest eigenvalue n. 2 of Burden matrix weighted by Sanderson electronegativity |

1131 | SpMax3_Bh(e) | largest eigenvalue n. 3 of Burden matrix weighted by Sanderson electronegativity |

1132 | SpMax4_Bh(e) | largest eigenvalue n. 4 of Burden matrix weighted by Sanderson electronegativity |

1133 | SpMax5_Bh(e) | largest eigenvalue n. 5 of Burden matrix weighted by Sanderson electronegativity |

1134 | SpMax6_Bh(e) | largest eigenvalue n. 6 of Burden matrix weighted by Sanderson electronegativity |

1135 | SpMax7_Bh(e) | largest eigenvalue n. 7 of Burden matrix weighted by Sanderson electronegativity |

1136 | SpMax8_Bh(e) | largest eigenvalue n. 8 of Burden matrix weighted by Sanderson electronegativity |

1137 | SpMax1_Bh(p) | largest eigenvalue n. 1 of Burden matrix weighted by polarizability |

1138 | SpMax2_Bh(p) | largest eigenvalue n. 2 of Burden matrix weighted by polarizability |

1139 | SpMax3_Bh(p) | largest eigenvalue n. 3 of Burden matrix weighted by polarizability |

1140 | SpMax4_Bh(p) | largest eigenvalue n. 4 of Burden matrix weighted by polarizability |

1141 | SpMax5_Bh(p) | largest eigenvalue n. 5 of Burden matrix weighted by polarizability |

1142 | SpMax6_Bh(p) | largest eigenvalue n. 6 of Burden matrix weighted by polarizability |

1143 | SpMax7_Bh(p) | largest eigenvalue n. 7 of Burden matrix weighted by polarizability |

1144 | SpMax8_Bh(p) | largest eigenvalue n. 8 of Burden matrix weighted by polarizability |

1145 | SpMax1_Bh(i) | largest eigenvalue n. 1 of Burden matrix weighted by ionization potential |

1146 | SpMax2_Bh(i) | largest eigenvalue n. 2 of Burden matrix weighted by ionization potential |

1147 | SpMax3_Bh(i) | largest eigenvalue n. 3 of Burden matrix weighted by ionization potential |

1148 | SpMax4_Bh(i) | largest eigenvalue n. 4 of Burden matrix weighted by ionization potential |

1149 | SpMax5_Bh(i) | largest eigenvalue n. 5 of Burden matrix weighted by ionization potential |

1150 | SpMax6_Bh(i) | largest eigenvalue n. 6 of Burden matrix weighted by ionization potential |

1151 | SpMax7_Bh(i) | largest eigenvalue n. 7 of Burden matrix weighted by ionization potential |

1152 | SpMax8_Bh(i) | largest eigenvalue n. 8 of Burden matrix weighted by ionization potential |

1153 | SpMax1_Bh(s) | largest eigenvalue n. 1 of Burden matrix weighted by I-state |

1154 | SpMax2_Bh(s) | largest eigenvalue n. 2 of Burden matrix weighted by I-state |

1155 | SpMax3_Bh(s) | largest eigenvalue n. 3 of Burden matrix weighted by I-state |

1156 | SpMax4_Bh(s) | largest eigenvalue n. 4 of Burden matrix weighted by I-state |

1157 | SpMax5_Bh(s) | largest eigenvalue n. 5 of Burden matrix weighted by I-state |

1158 | SpMax6_Bh(s) | largest eigenvalue n. 6 of Burden matrix weighted by I-state |

1159 | SpMax7_Bh(s) | largest eigenvalue n. 7 of Burden matrix weighted by I-state |

1160 | SpMax8_Bh(s) | largest eigenvalue n. 8 of Burden matrix weighted by I-state |

1161 | SpMin1_Bh(m) | smallest eigenvalue n. 1 of Burden matrix weighted by mass |

1162 | SpMin2_Bh(m) | smallest eigenvalue n. 2 of Burden matrix weighted by mass |

1163 | SpMin3_Bh(m) | smallest eigenvalue n. 3 of Burden matrix weighted by mass |

1164 | SpMin4_Bh(m) | smallest eigenvalue n. 4 of Burden matrix weighted by mass |

1165 | SpMin5_Bh(m) | smallest eigenvalue n. 5 of Burden matrix weighted by mass |

1166 | SpMin6_Bh(m) | smallest eigenvalue n. 6 of Burden matrix weighted by mass |

1167 | SpMin7_Bh(m) | smallest eigenvalue n. 7 of Burden matrix weighted by mass |

1168 | SpMin8_Bh(m) | smallest eigenvalue n. 8 of Burden matrix weighted by mass |

1169 | SpMin1_Bh(v) | smallest eigenvalue n. 1 of Burden matrix weighted by van der Waals volume |

1170 | SpMin2_Bh(v) | smallest eigenvalue n. 2 of Burden matrix weighted by van der Waals volume |

1171 | SpMin3_Bh(v) | smallest eigenvalue n. 3 of Burden matrix weighted by van der Waals volume |

1172 | SpMin4_Bh(v) | smallest eigenvalue n. 4 of Burden matrix weighted by van der Waals volume |

1173 | SpMin5_Bh(v) | smallest eigenvalue n. 5 of Burden matrix weighted by van der Waals volume |

1174 | SpMin6_Bh(v) | smallest eigenvalue n. 6 of Burden matrix weighted by van der Waals volume |

1175 | SpMin7_Bh(v) | smallest eigenvalue n. 7 of Burden matrix weighted by van der Waals volume |

1176 | SpMin8_Bh(v) | smallest eigenvalue n. 8 of Burden matrix weighted by van der Waals volume |

1177 | SpMin1_Bh(e) | smallest eigenvalue n. 1 of Burden matrix weighted by Sanderson electronegativity |

1178 | SpMin2_Bh(e) | smallest eigenvalue n. 2 of Burden matrix weighted by Sanderson electronegativity |

1179 | SpMin3_Bh(e) | smallest eigenvalue n. 3 of Burden matrix weighted by Sanderson electronegativity |

1180 | SpMin4_Bh(e) | smallest eigenvalue n. 4 of Burden matrix weighted by Sanderson electronegativity |

1181 | SpMin5_Bh(e) | smallest eigenvalue n. 5 of Burden matrix weighted by Sanderson electronegativity |

1182 | SpMin6_Bh(e) | smallest eigenvalue n. 6 of Burden matrix weighted by Sanderson electronegativity |

1183 | SpMin7_Bh(e) | smallest eigenvalue n. 7 of Burden matrix weighted by Sanderson electronegativity |

1184 | SpMin8_Bh(e) | smallest eigenvalue n. 8 of Burden matrix weighted by Sanderson electronegativity |

1185 | SpMin1_Bh(p) | smallest eigenvalue n. 1 of Burden matrix weighted by polarizability |

1186 | SpMin2_Bh(p) | smallest eigenvalue n. 2 of Burden matrix weighted by polarizability |

1187 | SpMin3_Bh(p) | smallest eigenvalue n. 3 of Burden matrix weighted by polarizability |

1188 | SpMin4_Bh(p) | smallest eigenvalue n. 4 of Burden matrix weighted by polarizability |

1189 | SpMin5_Bh(p) | smallest eigenvalue n. 5 of Burden matrix weighted by polarizability |

1190 | SpMin6_Bh(p) | smallest eigenvalue n. 6 of Burden matrix weighted by polarizability |

1191 | SpMin7_Bh(p) | smallest eigenvalue n. 7 of Burden matrix weighted by polarizability |

1192 | SpMin8_Bh(p) | smallest eigenvalue n. 8 of Burden matrix weighted by polarizability |

1193 | SpMin1_Bh(i) | smallest eigenvalue n. 1 of Burden matrix weighted by ionization potential |

1194 | SpMin2_Bh(i) | smallest eigenvalue n. 2 of Burden matrix weighted by ionization potential |

1195 | SpMin3_Bh(i) | smallest eigenvalue n. 3 of Burden matrix weighted by ionization potential |

1196 | SpMin4_Bh(i) | smallest eigenvalue n. 4 of Burden matrix weighted by ionization potential |

1197 | SpMin5_Bh(i) | smallest eigenvalue n. 5 of Burden matrix weighted by ionization potential |

1198 | SpMin6_Bh(i) | smallest eigenvalue n. 6 of Burden matrix weighted by ionization potential |

1199 | SpMin7_Bh(i) | smallest eigenvalue n. 7 of Burden matrix weighted by ionization potential |

1200 | SpMin8_Bh(i) | smallest eigenvalue n. 8 of Burden matrix weighted by ionization potential |

1201 | SpMin1_Bh(s) | smallest eigenvalue n. 1 of Burden matrix weighted by I-state |

1202 | SpMin2_Bh(s) | smallest eigenvalue n. 2 of Burden matrix weighted by I-state |

1203 | SpMin3_Bh(s) | smallest eigenvalue n. 3 of Burden matrix weighted by I-state |

1204 | SpMin4_Bh(s) | smallest eigenvalue n. 4 of Burden matrix weighted by I-state |

1205 | SpMin5_Bh(s) | smallest eigenvalue n. 5 of Burden matrix weighted by I-state |

1206 | SpMin6_Bh(s) | smallest eigenvalue n. 6 of Burden matrix weighted by I-state |

1207 | SpMin7_Bh(s) | smallest eigenvalue n. 7 of Burden matrix weighted by I-state |

1208 | SpMin8_Bh(s) | smallest eigenvalue n. 8 of Burden matrix weighted by I-state |

## P_VSA-like descriptors

No. | Name | Description |
---|---|---|

1209 | P_VSA_LogP_1 | P_VSA-like on LogP, bin 1 |

1210 | P_VSA_LogP_2 | P_VSA-like on LogP, bin 2 |

1211 | P_VSA_LogP_3 | P_VSA-like on LogP, bin 3 |

1212 | P_VSA_LogP_4 | P_VSA-like on LogP, bin 4 |

1213 | P_VSA_LogP_5 | P_VSA-like on LogP, bin 5 |

1214 | P_VSA_LogP_6 | P_VSA-like on LogP, bin 6 |

1215 | P_VSA_LogP_7 | P_VSA-like on LogP, bin 7 |

1216 | P_VSA_LogP_8 | P_VSA-like on LogP, bin 8 |

1217 | P_VSA_MR_1 | P_VSA-like on Molar Refractivity, bin 1 |

1218 | P_VSA_MR_2 | P_VSA-like on Molar Refractivity, bin 2 |

1219 | P_VSA_MR_3 | P_VSA-like on Molar Refractivity, bin 3 |

1220 | P_VSA_MR_4 | P_VSA-like on Molar Refractivity, bin 4 |

1221 | P_VSA_MR_5 | P_VSA-like on Molar Refractivity, bin 5 |

1222 | P_VSA_MR_6 | P_VSA-like on Molar Refractivity, bin 6 |

1223 | P_VSA_MR_7 | P_VSA-like on Molar Refractivity, bin 7 |

1224 | P_VSA_MR_8 | P_VSA-like on Molar Refractivity, bin 8 |

1225 | P_VSA_m_1 | P_VSA-like on mass, bin 1 |

1226 | P_VSA_m_2 | P_VSA-like on mass, bin 2 |

1227 | P_VSA_m_3 | P_VSA-like on mass, bin 3 |

1228 | P_VSA_m_4 | P_VSA-like on mass, bin 4 |

1229 | P_VSA_m_5 | P_VSA-like on mass, bin 5 |

1230 | P_VSA_v_1 | P_VSA-like on van der Waals volume, bin 1 |

1231 | P_VSA_v_2 | P_VSA-like on van der Waals volume, bin 2 |

1232 | P_VSA_v_3 | P_VSA-like on van der Waals volume, bin 3 |

1233 | P_VSA_v_4 | P_VSA-like on van der Waals volume, bin 4 |

1234 | P_VSA_e_1 | P_VSA-like on Sanderson electronegativity, bin 1 |

1235 | P_VSA_e_2 | P_VSA-like on Sanderson electronegativity, bin 2 |

1236 | P_VSA_e_3 | P_VSA-like on Sanderson electronegativity, bin 3 |

1237 | P_VSA_e_4 | P_VSA-like on Sanderson electronegativity, bin 4 |

1238 | P_VSA_e_5 | P_VSA-like on Sanderson electronegativity, bin 5 |

1239 | P_VSA_e_6 | P_VSA-like on Sanderson electronegativity, bin 6 |

1240 | P_VSA_p_1 | P_VSA-like on polarizability, bin 1 |

1241 | P_VSA_p_2 | P_VSA-like on polarizability, bin 2 |

1242 | P_VSA_p_3 | P_VSA-like on polarizability, bin 3 |

1243 | P_VSA_p_4 | P_VSA-like on polarizability, bin 4 |

1244 | P_VSA_i_1 | P_VSA-like on ionization potential, bin 1 |

1245 | P_VSA_i_2 | P_VSA-like on ionization potential, bin 2 |

1246 | P_VSA_i_3 | P_VSA-like on ionization potential, bin 3 |

1247 | P_VSA_i_4 | P_VSA-like on ionization potential, bin 4 |

1248 | P_VSA_s_1 | P_VSA-like on I-state, bin 1 |

1249 | P_VSA_s_2 | P_VSA-like on I-state, bin 2 |

1250 | P_VSA_s_3 | P_VSA-like on I-state, bin 3 |

1251 | P_VSA_s_4 | P_VSA-like on I-state, bin 4 |

1252 | P_VSA_s_5 | P_VSA-like on I-state, bin 5 |

1253 | P_VSA_s_6 | P_VSA-like on I-state, bin 6 |

1254 | P_VSA_ppp_L | P_VSA-like on potential pharmacophore points, L – lipophilic |

1255 | P_VSA_ppp_P | P_VSA-like on potential pharmacophore points, P – positive |

1256 | P_VSA_ppp_N | P_VSA-like on potential pharmacophore points, N – negative |

1257 | P_VSA_ppp_D | P_VSA-like on potential pharmacophore points, D – hydrogen-bond donor |

1258 | P_VSA_ppp_A | P_VSA-like on potential pharmacophore points, A – hydrogen-bond acceptor |

1259 | P_VSA_ppp_ar | P_VSA-like on potential pharmacophore points, ar – aromatic atoms |

1260 | P_VSA_ppp_con | P_VSA-like on potential pharmacophore points, con – conjugated atoms |

1261 | P_VSA_ppp_hal | P_VSA-like on potential pharmacophore points, hal – halogen atoms |

1262 | P_VSA_ppp_cyc | P_VSA-like on potential pharmacophore points, cyc – atoms belonging to cycles |

1263 | P_VSA_ppp_ter | P_VSA-like on potential pharmacophore points, ter – terminal atoms |

## ETA indices

No. | Name | Description |
---|---|---|

1264 | Eta_alpha | eta core count |

1265 | Eta_alpha_A | eta average core count |

1266 | Eta_epsi | eta electronegativity measure |

1267 | Eta_epsi_A | eta average electronegativity measure |

1268 | Eta_betaS | eta sigma VEM count |

1269 | Eta_betaS_A | eta sigma average VEM coun |

1270 | Eta_betaP | eta pi and lone pair VEM count |

1271 | Eta_betaP_A | eta pi and lone pair average VEM count |

1272 | Eta_beta | eta VEM count |

1273 | Eta_beta_A | eta average VEM count |

1274 | Eta_C | eta composite index |

1275 | Eta_C_A | eta average composite index |

1276 | Eta_L | eta local composite index |

1277 | Eta_L_A | eta average local composite index |

1278 | Eta_F | eta functionality index |

1279 | Eta_F_A | eta average functionality index |

1280 | Eta_FL | eta local functionality index |

1281 | Eta_FL_A | eta average local functionality index |

1282 | Eta_B | eta branching index |

1283 | Eta_B_A | eta average branching index |

1284 | Eta_sh_p | eta p shape index |

1285 | Eta_sh_y | eta y shape index |

1286 | Eta_sh_x | eta x shape index |

1287 | Eta_D_AlphaA | eta delta alpha a index |

1288 | Eta_D_AlphaB | eta delta alpha b index |

1289 | Eta_epsi_2 | eta electronegativity measure 2 |

1290 | Eta_epsi_3 | eta electronegativity measure 3 |

1291 | Eta_epsi_4 | eta electronegativity measure 4 |

1292 | Eta_epsi_5 | eta electronegativity measure 5 |

1293 | Eta_D_epsiA | eta measure of unsaturation and electronegative atom count |

1294 | Eta_D_epsiB | eta measure of unsaturation |

1295 | Eta_D_epsiC | eta measure of electronegativity |

1296 | Eta_D_epsiD | eta measure of hydrogen bond donor atoms |

1297 | Eta_psi1 | eta measure of hydrogen bonding propensity and/or polar surface area |

1298 | Eta_D_psiA | eta measure of hydrogen bonding propensity |

1299 | Eta_D_psiB | eta measure of hydrogen bonding propensity |

1300 | Eta_D_beta | eta measure of electronic features |

1301 | Eta_D_beta_A | eta average measure of electronic features |

## Edge adjacency indices

No. | Name | Description |
---|---|---|

1302 | SpMax_EA | leading eigenvalue from edge adjacency mat. |

1303 | SpMaxA_EA | normalized leading eigenvalue from edge adjacency mat. |

1304 | SpDiam_EA | spectral diameter from edge adjacency mat. |

1305 | SpAD_EA | spectral absolute deviation from edge adjacency mat. |

1306 | SpMAD_EA | spectral mean absolute deviation from edge adjacency mat. |

1307 | SpMax_EA(ed) | leading eigenvalue from edge adjacency mat. weighted by edge degree |

1308 | SpMaxA_EA(ed) | normalized leading eigenvalue from edge adjacency mat. weighted by edge degree |

1309 | SpDiam_EA(ed) | spectral diameter from edge adjacency mat. weighted by edge degree |

1310 | SpAD_EA(ed) | spectral absolute deviation from edge adjacency mat. weighted by edge degree |

1311 | SpMAD_EA(ed) | spectral mean absolute deviation from edge adjacency mat. weighted by edge degree |

1312 | SpMax_EA(bo) | leading eigenvalue from edge adjacency mat. weighted by bond order |

1313 | SpMaxA_EA(bo) | normalized leading eigenvalue from edge adjacency mat. weighted by bond order |

1314 | SpDiam_EA(bo) | spectral diameter from edge adjacency mat. weighted by bond order |

1315 | SpAD_EA(bo) | spectral absolute deviation from edge adjacency mat. weighted by bond order |

1316 | SpMAD_EA(bo) | spectral mean absolute deviation from edge adjacency mat. weighted by bond order |

1317 | SpMax_EA(dm) | leading eigenvalue from edge adjacency mat. weighted by dipole moment |

1318 | SpMaxA_EA(dm) | normalized leading eigenvalue from edge adjacency mat. weighted by dipole moment |

1319 | SpDiam_EA(dm) | spectral diameter from edge adjacency mat. weighted by dipole moment |

1320 | SpAD_EA(dm) | spectral absolute deviation from edge adjacency mat. weighted by dipole moment |

1321 | SpMAD_EA(dm) | spectral mean absolute deviation from edge adjacency mat. weighted by dipole moment |

1322 | SpMax_EA(ri) | leading eigenvalue from edge adjacency mat. weighted by resonance integral |

1323 | SpMaxA_EA(ri) | normalized leading eigenvalue from edge adjacency mat. weighted by resonance integral |

1324 | SpDiam_EA(ri) | spectral diameter from edge adjacency mat. weighted by resonance integral |

1325 | SpAD_EA(ri) | spectral absolute deviation from edge adjacency mat. weighted by resonance integral |

1326 | SpMAD_EA(ri) | spectral mean absolute deviation from edge adjacency mat. weighted by resonance integral |

1327 | SpMax_AEA(ed) | leading eigenvalue from augmented edge adjacency mat. weighted by edge degree |

1328 | SpMaxA_AEA(ed) | normalized leading eigenvalue from augmented edge adjacency mat. weighted by edge degree |

1329 | SpDiam_AEA(ed) | spectral diameter from augmented edge adjacency mat. weighted by edge degree |

1330 | SpAD_AEA(ed) | spectral absolute deviation from augmented edge adjacency mat. weighted by edge degree |

1331 | SpMAD_AEA(ed) | spectral mean absolute deviation from augmented edge adjacency mat. weighted by edge degree |

1332 | SpMax_AEA(bo) | leading eigenvalue from augmented edge adjacency mat. weighted by bond order |

1333 | SpMaxA_AEA(bo) | normalized leading eigenvalue from augmented edge adjacency mat. weighted by bond order |

1334 | SpDiam_AEA(bo) | spectral diameter from augmented edge adjacency mat. weighted by bond order |

1335 | SpAD_AEA(bo) | spectral absolute deviation from augmented edge adjacency mat. weighted by bond order |

1336 | SpMAD_AEA(bo) | spectral mean absolute deviation from augmented edge adjacency mat. weighted by bond order |

1337 | SpMax_AEA(dm) | leading eigenvalue from augmented edge adjacency mat. weighted by dipole moment |

1338 | SpMaxA_AEA(dm) | normalized leading eigenvalue from augmented edge adjacency mat. weighted by dipole moment |

1339 | SpDiam_AEA(dm) | spectral diameter from augmented edge adjacency mat. weighted by dipole moment |

1340 | SpAD_AEA(dm) | spectral absolute deviation from augmented edge adjacency mat. weighted by dipole moment |

1341 | SpMAD_AEA(dm) | spectral mean absolute deviation from augmented edge adjacency mat. weighted by dipole moment |

1342 | SpMax_AEA(ri) | leading eigenvalue from augmented edge adjacency mat. weighted by resonance integral |

1343 | SpMaxA_AEA(ri) | normalized leading eigenvalue from augmented edge adjacency mat. weighted by resonance integral |

1344 | SpDiam_AEA(ri) | spectral diameter from augmented edge adjacency mat. weighted by resonance integral |

1345 | SpAD_AEA(ri) | spectral absolute deviation from augmented edge adjacency mat. weighted by resonance integral |

1346 | SpMAD_AEA(ri) | spectral mean absolute deviation from augmented edge adjacency mat. weighted by resonance integral |

1347 | Chi0_EA | connectivity-like index of order 0 from edge adjacency mat. |

1348 | Chi1_EA | connectivity-like index of order 1 from edge adjacency mat. |

1349 | Chi0_EA(ed) | connectivity-like index of order 0 from edge adjacency mat. weighted by edge degree |

1350 | Chi1_EA(ed) | connectivity-like index of order 1 from edge adjacency mat. weighted by edge degree |

1351 | Chi0_EA(bo) | connectivity-like index of order 0 from edge adjacency mat. weighted by bond order |

1352 | Chi1_EA(bo) | connectivity-like index of order 1 from edge adjacency mat. weighted by bond order |

1353 | Chi0_EA(dm) | connectivity-like index of order 0 from edge adjacency mat. weighted by dipole moment |

1354 | Chi1_EA(dm) | connectivity-like index of order 1 from edge adjacency mat. weighted by dipole moment |

1355 | Chi0_EA(ri) | connectivity-like index of order 0 from edge adjacency mat. weighted by resonance integral |

1356 | Chi1_EA(ri) | connectivity-like index of order 1 from edge adjacency mat. weighted by resonance integral |

1357 | Chi0_AEA(ed) | connectivity-like index of order 0 from augmented edge adjacency mat. weighted by edge degree |

1358 | Chi1_AEA(ed) | connectivity-like index of order 1 from augmented edge adjacency mat. weighted by edge degree |

1359 | Chi0_AEA(bo) | connectivity-like index of order 0 from augmented edge adjacency mat. weighted by bond order |

1360 | Chi1_AEA(bo) | connectivity-like index of order 1 from augmented edge adjacency mat. weighted by bond order |

1361 | Chi0_AEA(dm) | connectivity-like index of order 0 from augmented edge adjacency mat. weighted by dipole moment |

1362 | Chi1_AEA(dm) | connectivity-like index of order 1 from augmented edge adjacency mat. weighted by dipole moment |

1363 | Chi0_AEA(ri) | connectivity-like index of order 0 from augmented edge adjacency mat. weighted by resonance integral |

1364 | Chi1_AEA(ri) | connectivity-like index of order 1 from augmented edge adjacency mat. weighted by resonance integral |

1365 | SM02_EA | spectral moment of order 2 from edge adjacency mat. |

1366 | SM03_EA | spectral moment of order 3 from edge adjacency mat. |

1367 | SM04_EA | spectral moment of order 4 from edge adjacency mat. |

1368 | SM05_EA | spectral moment of order 5 from edge adjacency mat. |

1369 | SM06_EA | spectral moment of order 6 from edge adjacency mat. |

1370 | SM07_EA | spectral moment of order 7 from edge adjacency mat. |

1371 | SM08_EA | spectral moment of order 8 from edge adjacency mat. |

1372 | SM09_EA | spectral moment of order 9 from edge adjacency mat. |

1373 | SM10_EA | spectral moment of order 10 from edge adjacency mat. |

1374 | SM11_EA | spectral moment of order 11 from edge adjacency mat. |

1375 | SM12_EA | spectral moment of order 12 from edge adjacency mat. |

1376 | SM13_EA | spectral moment of order 13 from edge adjacency mat. |

1377 | SM14_EA | spectral moment of order 14 from edge adjacency mat. |

1378 | SM15_EA | spectral moment of order 15 from edge adjacency mat. |

1379 | SM02_EA(ed) | spectral moment of order 2 from edge adjacency mat. weighted by edge degree |

1380 | SM03_EA(ed) | spectral moment of order 3 from edge adjacency mat. weighted by edge degree |

1381 | SM04_EA(ed) | spectral moment of order 4 from edge adjacency mat. weighted by edge degree |

1382 | SM05_EA(ed) | spectral moment of order 5 from edge adjacency mat. weighted by edge degree |

1383 | SM06_EA(ed) | spectral moment of order 6 from edge adjacency mat. weighted by edge degree |

1384 | SM07_EA(ed) | spectral moment of order 7 from edge adjacency mat. weighted by edge degree |

1385 | SM08_EA(ed) | spectral moment of order 8 from edge adjacency mat. weighted by edge degree |

1386 | SM09_EA(ed) | spectral moment of order 9 from edge adjacency mat. weighted by edge degree |

1387 | SM10_EA(ed) | spectral moment of order 10 from edge adjacency mat. weighted by edge degree |

1388 | SM11_EA(ed) | spectral moment of order 11 from edge adjacency mat. weighted by edge degree |

1389 | SM12_EA(ed) | spectral moment of order 12 from edge adjacency mat. weighted by edge degree |

1390 | SM13_EA(ed) | spectral moment of order 13 from edge adjacency mat. weighted by edge degree |

1391 | SM14_EA(ed) | spectral moment of order 14 from edge adjacency mat. weighted by edge degree |

1392 | SM15_EA(ed) | spectral moment of order 15 from edge adjacency mat. weighted by edge degree |

1393 | SM02_EA(bo) | spectral moment of order 2 from edge adjacency mat. weighted by bond order |

1394 | SM03_EA(bo) | spectral moment of order 3 from edge adjacency mat. weighted by bond order |

1395 | SM04_EA(bo) | spectral moment of order 4 from edge adjacency mat. weighted by bond order |

1396 | SM05_EA(bo) | spectral moment of order 5 from edge adjacency mat. weighted by bond order |

1397 | SM06_EA(bo) | spectral moment of order 6 from edge adjacency mat. weighted by bond order |

1398 | SM07_EA(bo) | spectral moment of order 7 from edge adjacency mat. weighted by bond order |

1399 | SM08_EA(bo) | spectral moment of order 8 from edge adjacency mat. weighted by bond order |

1400 | SM09_EA(bo) | spectral moment of order 9 from edge adjacency mat. weighted by bond order |

1401 | SM10_EA(bo) | spectral moment of order 10 from edge adjacency mat. weighted by bond order |

1402 | SM11_EA(bo) | spectral moment of order 11 from edge adjacency mat. weighted by bond order |

1403 | SM12_EA(bo) | spectral moment of order 12 from edge adjacency mat. weighted by bond order |

1404 | SM13_EA(bo) | spectral moment of order 13 from edge adjacency mat. weighted by bond order |

1405 | SM14_EA(bo) | spectral moment of order 14 from edge adjacency mat. weighted by bond order |

1406 | SM15_EA(bo) | spectral moment of order 15 from edge adjacency mat. weighted by bond order |

1407 | SM02_EA(dm) | spectral moment of order 2 from edge adjacency mat. weighted by dipole moment |

1408 | SM03_EA(dm) | spectral moment of order 3 from edge adjacency mat. weighted by dipole moment |

1409 | SM04_EA(dm) | spectral moment of order 4 from edge adjacency mat. weighted by dipole moment |

1410 | SM05_EA(dm) | spectral moment of order 5 from edge adjacency mat. weighted by dipole moment |

1411 | SM06_EA(dm) | spectral moment of order 6 from edge adjacency mat. weighted by dipole moment |

1412 | SM07_EA(dm) | spectral moment of order 7 from edge adjacency mat. weighted by dipole moment |

1413 | SM08_EA(dm) | spectral moment of order 8 from edge adjacency mat. weighted by dipole moment |

1414 | SM09_EA(dm) | spectral moment of order 9 from edge adjacency mat. weighted by dipole moment |

1415 | SM10_EA(dm) | spectral moment of order 10 from edge adjacency mat. weighted by dipole moment |

1416 | SM11_EA(dm) | spectral moment of order 11 from edge adjacency mat. weighted by dipole moment |

1417 | SM12_EA(dm) | spectral moment of order 12 from edge adjacency mat. weighted by dipole moment |

1418 | SM13_EA(dm) | spectral moment of order 13 from edge adjacency mat. weighted by dipole moment |

1419 | SM14_EA(dm) | spectral moment of order 14 from edge adjacency mat. weighted by dipole moment |

1420 | SM15_EA(dm) | spectral moment of order 15 from edge adjacency mat. weighted by dipole moment |

1421 | SM02_EA(ri) | spectral moment of order 2 from edge adjacency mat. weighted by resonance integral |

1422 | SM03_EA(ri) | spectral moment of order 3 from edge adjacency mat. weighted by resonance integral |

1423 | SM04_EA(ri) | spectral moment of order 4 from edge adjacency mat. weighted by resonance integral |

1424 | SM05_EA(ri) | spectral moment of order 5 from edge adjacency mat. weighted by resonance integral |

1425 | SM06_EA(ri) | spectral moment of order 6 from edge adjacency mat. weighted by resonance integral |

1426 | SM07_EA(ri) | spectral moment of order 7 from edge adjacency mat. weighted by resonance integral |

1427 | SM08_EA(ri) | spectral moment of order 8 from edge adjacency mat. weighted by resonance integral |

1428 | SM09_EA(ri) | spectral moment of order 9 from edge adjacency mat. weighted by resonance integral |

1429 | SM10_EA(ri) | spectral moment of order 10 from edge adjacency mat. weighted by resonance integral |

1430 | SM11_EA(ri) | spectral moment of order 11 from edge adjacency mat. weighted by resonance integral |

1431 | SM12_EA(ri) | spectral moment of order 12 from edge adjacency mat. weighted by resonance integral |

1432 | SM13_EA(ri) | spectral moment of order 13 from edge adjacency mat. weighted by resonance integral |

1433 | SM14_EA(ri) | spectral moment of order 14 from edge adjacency mat. weighted by resonance integral |

1434 | SM15_EA(ri) | spectral moment of order 15 from edge adjacency mat. weighted by resonance integral |

1435 | SM02_AEA(ed) | spectral moment of order 2 from augmented edge adjacency mat. weighted by edge degree |

1436 | SM03_AEA(ed) | spectral moment of order 3 from augmented edge adjacency mat. weighted by edge degree |

1437 | SM04_AEA(ed) | spectral moment of order 4 from augmented edge adjacency mat. weighted by edge degree |

1438 | SM05_AEA(ed) | spectral moment of order 5 from augmented edge adjacency mat. weighted by edge degree |

1439 | SM06_AEA(ed) | spectral moment of order 6 from augmented edge adjacency mat. weighted by edge degree |

1440 | SM07_AEA(ed) | spectral moment of order 7 from augmented edge adjacency mat. weighted by edge degree |

1441 | SM08_AEA(ed) | spectral moment of order 8 from augmented edge adjacency mat. weighted by edge degree |

1442 | SM09_AEA(ed) | spectral moment of order 9 from augmented edge adjacency mat. weighted by edge degree |

1443 | SM10_AEA(ed) | spectral moment of order 10 from augmented edge adjacency mat. weighted by edge degree |

1444 | SM11_AEA(ed) | spectral moment of order 11 from augmented edge adjacency mat. weighted by edge degree |

1445 | SM12_AEA(ed) | spectral moment of order 12 from augmented edge adjacency mat. weighted by edge degree |

1446 | SM13_AEA(ed) | spectral moment of order 13 from augmented edge adjacency mat. weighted by edge degree |

1447 | SM14_AEA(ed) | spectral moment of order 14 from augmented edge adjacency mat. weighted by edge degree |

1448 | SM15_AEA(ed) | spectral moment of order 15 from augmented edge adjacency mat. weighted by edge degree |

1449 | SM02_AEA(bo) | spectral moment of order 2 from augmented edge adjacency mat. weighted by bond order |

1450 | SM03_AEA(bo) | spectral moment of order 3 from augmented edge adjacency mat. weighted by bond order |

1451 | SM04_AEA(bo) | spectral moment of order 4 from augmented edge adjacency mat. weighted by bond order |

1452 | SM05_AEA(bo) | spectral moment of order 5 from augmented edge adjacency mat. weighted by bond order |

1453 | SM06_AEA(bo) | spectral moment of order 6 from augmented edge adjacency mat. weighted by bond order |

1454 | SM07_AEA(bo) | spectral moment of order 7 from augmented edge adjacency mat. weighted by bond order |

1455 | SM08_AEA(bo) | spectral moment of order 8 from augmented edge adjacency mat. weighted by bond order |

1456 | SM09_AEA(bo) | spectral moment of order 9 from augmented edge adjacency mat. weighted by bond order |

1457 | SM10_AEA(bo) | spectral moment of order 10 from augmented edge adjacency mat. weighted by bond order |

1458 | SM11_AEA(bo) | spectral moment of order 11 from augmented edge adjacency mat. weighted by bond order |

1459 | SM12_AEA(bo) | spectral moment of order 12 from augmented edge adjacency mat. weighted by bond order |

1460 | SM13_AEA(bo) | spectral moment of order 13 from augmented edge adjacency mat. weighted by bond order |

1461 | SM14_AEA(bo) | spectral moment of order 14 from augmented edge adjacency mat. weighted by bond order |

1462 | SM15_AEA(bo) | spectral moment of order 15 from augmented edge adjacency mat. weighted by bond order |

1463 | SM02_AEA(dm) | spectral moment of order 2 from augmented edge adjacency mat. weighted by dipole moment |

1464 | SM03_AEA(dm) | spectral moment of order 3 from augmented edge adjacency mat. weighted by dipole moment |

1465 | SM04_AEA(dm) | spectral moment of order 4 from augmented edge adjacency mat. weighted by dipole moment |

1466 | SM05_AEA(dm) | spectral moment of order 5 from augmented edge adjacency mat. weighted by dipole moment |

1467 | SM06_AEA(dm) | spectral moment of order 6 from augmented edge adjacency mat. weighted by dipole moment |

1468 | SM07_AEA(dm) | spectral moment of order 7 from augmented edge adjacency mat. weighted by dipole moment |

1469 | SM08_AEA(dm) | spectral moment of order 8 from augmented edge adjacency mat. weighted by dipole moment |

1470 | SM09_AEA(dm) | spectral moment of order 9 from augmented edge adjacency mat. weighted by dipole moment |

1471 | SM10_AEA(dm) | spectral moment of order 10 from augmented edge adjacency mat. weighted by dipole moment |

1472 | SM11_AEA(dm) | spectral moment of order 11 from augmented edge adjacency mat. weighted by dipole moment |

1473 | SM12_AEA(dm) | spectral moment of order 12 from augmented edge adjacency mat. weighted by dipole moment |

1474 | SM13_AEA(dm) | spectral moment of order 13 from augmented edge adjacency mat. weighted by dipole moment |

1475 | SM14_AEA(dm) | spectral moment of order 14 from augmented edge adjacency mat. weighted by dipole moment |

1476 | SM15_AEA(dm) | spectral moment of order 15 from augmented edge adjacency mat. weighted by dipole moment |

1477 | SM02_AEA(ri) | spectral moment of order 2 from augmented edge adjacency mat. weighted by resonance integral |

1478 | SM03_AEA(ri) | spectral moment of order 3 from augmented edge adjacency mat. weighted by resonance integral |

1479 | SM04_AEA(ri) | spectral moment of order 4 from augmented edge adjacency mat. weighted by resonance integral |

1480 | SM05_AEA(ri) | spectral moment of order 5 from augmented edge adjacency mat. weighted by resonance integral |

1481 | SM06_AEA(ri) | spectral moment of order 6 from augmented edge adjacency mat. weighted by resonance integral |

1482 | SM07_AEA(ri) | spectral moment of order 7 from augmented edge adjacency mat. weighted by resonance integral |

1483 | SM08_AEA(ri) | spectral moment of order 8 from augmented edge adjacency mat. weighted by resonance integral |

1484 | SM09_AEA(ri) | spectral moment of order 9 from augmented edge adjacency mat. weighted by resonance integral |

1485 | SM10_AEA(ri) | spectral moment of order 10 from augmented edge adjacency mat. weighted by resonance integral |

1486 | SM11_AEA(ri) | spectral moment of order 11 from augmented edge adjacency mat. weighted by resonance integral |

1487 | SM12_AEA(ri) | spectral moment of order 12 from augmented edge adjacency mat. weighted by resonance integral |

1488 | SM13_AEA(ri) | spectral moment of order 13 from augmented edge adjacency mat. weighted by resonance integral |

1489 | SM14_AEA(ri) | spectral moment of order 14 from augmented edge adjacency mat. weighted by resonance integral |

1490 | SM15_AEA(ri) | spectral moment of order 15 from augmented edge adjacency mat. weighted by resonance integral |

1491 | Eig01_EA | eigenvalue n. 1 from edge adjacency mat. |

1492 | Eig02_EA | eigenvalue n. 2 from edge adjacency mat. |

1493 | Eig03_EA | eigenvalue n. 3 from edge adjacency mat. |

1494 | Eig04_EA | eigenvalue n. 4 from edge adjacency mat. |

1495 | Eig05_EA | eigenvalue n. 5 from edge adjacency mat. |

1496 | Eig06_EA | eigenvalue n. 6 from edge adjacency mat. |

1497 | Eig07_EA | eigenvalue n. 7 from edge adjacency mat. |

1498 | Eig08_EA | eigenvalue n. 8 from edge adjacency mat. |

1499 | Eig09_EA | eigenvalue n. 9 from edge adjacency mat. |

1500 | Eig10_EA | eigenvalue n. 10 from edge adjacency mat. |

1501 | Eig11_EA | eigenvalue n. 11 from edge adjacency mat. |

1502 | Eig12_EA | eigenvalue n. 12 from edge adjacency mat. |

1503 | Eig13_EA | eigenvalue n. 13 from edge adjacency mat. |

1504 | Eig14_EA | eigenvalue n. 14 from edge adjacency mat. |

1505 | Eig15_EA | eigenvalue n. 15 from edge adjacency mat. |

1506 | Eig01_EA(ed) | eigenvalue n. 1 from edge adjacency mat. weighted by edge degree |

1507 | Eig02_EA(ed) | eigenvalue n. 2 from edge adjacency mat. weighted by edge degree |

1508 | Eig03_EA(ed) | eigenvalue n. 3 from edge adjacency mat. weighted by edge degree |

1509 | Eig04_EA(ed) | eigenvalue n. 4 from edge adjacency mat. weighted by edge degree |

1510 | Eig05_EA(ed) | eigenvalue n. 5 from edge adjacency mat. weighted by edge degree |

1511 | Eig06_EA(ed) | eigenvalue n. 6 from edge adjacency mat. weighted by edge degree |

1512 | Eig07_EA(ed) | eigenvalue n. 7 from edge adjacency mat. weighted by edge degree |

1513 | Eig08_EA(ed) | eigenvalue n. 8 from edge adjacency mat. weighted by edge degree |

1514 | Eig09_EA(ed) | eigenvalue n. 9 from edge adjacency mat. weighted by edge degree |

1515 | Eig10_EA(ed) | eigenvalue n. 10 from edge adjacency mat. weighted by edge degree |

1516 | Eig11_EA(ed) | eigenvalue n. 11 from edge adjacency mat. weighted by edge degree |

1517 | Eig12_EA(ed) | eigenvalue n. 12 from edge adjacency mat. weighted by edge degree |

1518 | Eig13_EA(ed) | eigenvalue n. 13 from edge adjacency mat. weighted by edge degree |

1519 | Eig14_EA(ed) | eigenvalue n. 14 from edge adjacency mat. weighted by edge degree |

1520 | Eig15_EA(ed) | eigenvalue n. 15 from edge adjacency mat. weighted by edge degree |

1521 | Eig01_EA(bo) | eigenvalue n. 1 from edge adjacency mat. weighted by bond order |

1522 | Eig02_EA(bo) | eigenvalue n. 2 from edge adjacency mat. weighted by bond order |

1523 | Eig03_EA(bo) | eigenvalue n. 3 from edge adjacency mat. weighted by bond order |

1524 | Eig04_EA(bo) | eigenvalue n. 4 from edge adjacency mat. weighted by bond order |

1525 | Eig05_EA(bo) | eigenvalue n. 5 from edge adjacency mat. weighted by bond order |

1526 | Eig06_EA(bo) | eigenvalue n. 6 from edge adjacency mat. weighted by bond order |

1527 | Eig07_EA(bo) | eigenvalue n. 7 from edge adjacency mat. weighted by bond order |

1528 | Eig08_EA(bo) | eigenvalue n. 8 from edge adjacency mat. weighted by bond order |

1529 | Eig09_EA(bo) | eigenvalue n. 9 from edge adjacency mat. weighted by bond order |

1530 | Eig10_EA(bo) | eigenvalue n. 10 from edge adjacency mat. weighted by bond order |

1531 | Eig11_EA(bo) | eigenvalue n. 11 from edge adjacency mat. weighted by bond order |

1532 | Eig12_EA(bo) | eigenvalue n. 12 from edge adjacency mat. weighted by bond order |

1533 | Eig13_EA(bo) | eigenvalue n. 13 from edge adjacency mat. weighted by bond order |

1534 | Eig14_EA(bo) | eigenvalue n. 14 from edge adjacency mat. weighted by bond order |

1535 | Eig15_EA(bo) | eigenvalue n. 15 from edge adjacency mat. weighted by bond order |

1536 | Eig01_EA(dm) | eigenvalue n. 1 from edge adjacency mat. weighted by dipole moment |

1537 | Eig02_EA(dm) | eigenvalue n. 2 from edge adjacency mat. weighted by dipole moment |

1538 | Eig03_EA(dm) | eigenvalue n. 3 from edge adjacency mat. weighted by dipole moment |

1539 | Eig04_EA(dm) | eigenvalue n. 4 from edge adjacency mat. weighted by dipole moment |

1540 | Eig05_EA(dm) | eigenvalue n. 5 from edge adjacency mat. weighted by dipole moment |

1541 | Eig06_EA(dm) | eigenvalue n. 6 from edge adjacency mat. weighted by dipole moment |

1542 | Eig07_EA(dm) | eigenvalue n. 7 from edge adjacency mat. weighted by dipole moment |

1543 | Eig08_EA(dm) | eigenvalue n. 8 from edge adjacency mat. weighted by dipole moment |

1544 | Eig09_EA(dm) | eigenvalue n. 9 from edge adjacency mat. weighted by dipole moment |

1545 | Eig10_EA(dm) | eigenvalue n. 10 from edge adjacency mat. weighted by dipole moment |

1546 | Eig11_EA(dm) | eigenvalue n. 11 from edge adjacency mat. weighted by dipole moment |

1547 | Eig12_EA(dm) | eigenvalue n. 12 from edge adjacency mat. weighted by dipole moment |

1548 | Eig13_EA(dm) | eigenvalue n. 13 from edge adjacency mat. weighted by dipole moment |

1549 | Eig14_EA(dm) | eigenvalue n. 14 from edge adjacency mat. weighted by dipole moment |

1550 | Eig15_EA(dm) | eigenvalue n. 15 from edge adjacency mat. weighted by dipole moment |

1551 | Eig01_EA(ri) | eigenvalue n. 1 from edge adjacency mat. weighted by resonance integral |

1552 | Eig02_EA(ri) | eigenvalue n. 2 from edge adjacency mat. weighted by resonance integral |

1553 | Eig03_EA(ri) | eigenvalue n. 3 from edge adjacency mat. weighted by resonance integral |

1554 | Eig04_EA(ri) | eigenvalue n. 4 from edge adjacency mat. weighted by resonance integral |

1555 | Eig05_EA(ri) | eigenvalue n. 5 from edge adjacency mat. weighted by resonance integral |

1556 | Eig06_EA(ri) | eigenvalue n. 6 from edge adjacency mat. weighted by resonance integral |

1557 | Eig07_EA(ri) | eigenvalue n. 7 from edge adjacency mat. weighted by resonance integral |

1558 | Eig08_EA(ri) | eigenvalue n. 8 from edge adjacency mat. weighted by resonance integral |

1559 | Eig09_EA(ri) | eigenvalue n. 9 from edge adjacency mat. weighted by resonance integral |

1560 | Eig10_EA(ri) | eigenvalue n. 10 from edge adjacency mat. weighted by resonance integral |

1561 | Eig11_EA(ri) | eigenvalue n. 11 from edge adjacency mat. weighted by resonance integral |

1562 | Eig12_EA(ri) | eigenvalue n. 12 from edge adjacency mat. weighted by resonance integral |

1563 | Eig13_EA(ri) | eigenvalue n. 13 from edge adjacency mat. weighted by resonance integral |

1564 | Eig14_EA(ri) | eigenvalue n. 14 from edge adjacency mat. weighted by resonance integral |

1565 | Eig15_EA(ri) | eigenvalue n. 15 from edge adjacency mat. weighted by resonance integral |

1566 | Eig01_AEA(ed) | eigenvalue n. 1 from augmented edge adjacency mat. weighted by edge degree |

1567 | Eig02_AEA(ed) | eigenvalue n. 2 from augmented edge adjacency mat. weighted by edge degree |

1568 | Eig03_AEA(ed) | eigenvalue n. 3 from augmented edge adjacency mat. weighted by edge degree |

1569 | Eig04_AEA(ed) | eigenvalue n. 4 from augmented edge adjacency mat. weighted by edge degree |

1570 | Eig05_AEA(ed) | eigenvalue n. 5 from augmented edge adjacency mat. weighted by edge degree |

1571 | Eig06_AEA(ed) | eigenvalue n. 6 from augmented edge adjacency mat. weighted by edge degree |

1572 | Eig07_AEA(ed) | eigenvalue n. 7 from augmented edge adjacency mat. weighted by edge degree |

1573 | Eig08_AEA(ed) | eigenvalue n. 8 from augmented edge adjacency mat. weighted by edge degree |

1574 | Eig09_AEA(ed) | eigenvalue n. 9 from augmented edge adjacency mat. weighted by edge degree |

1575 | Eig10_AEA(ed) | eigenvalue n. 10 from augmented edge adjacency mat. weighted by edge degree |

1576 | Eig11_AEA(ed) | eigenvalue n. 11 from augmented edge adjacency mat. weighted by edge degree |

1577 | Eig12_AEA(ed) | eigenvalue n. 12 from augmented edge adjacency mat. weighted by edge degree |

1578 | Eig13_AEA(ed) | eigenvalue n. 13 from augmented edge adjacency mat. weighted by edge degree |

1579 | Eig14_AEA(ed) | eigenvalue n. 14 from augmented edge adjacency mat. weighted by edge degree |

1580 | Eig15_AEA(ed) | eigenvalue n. 15 from augmented edge adjacency mat. weighted by edge degree |

1581 | Eig01_AEA(bo) | eigenvalue n. 1 from augmented edge adjacency mat. weighted by bond order |

1582 | Eig02_AEA(bo) | eigenvalue n. 2 from augmented edge adjacency mat. weighted by bond order |

1583 | Eig03_AEA(bo) | eigenvalue n. 3 from augmented edge adjacency mat. weighted by bond order |

1584 | Eig04_AEA(bo) | eigenvalue n. 4 from augmented edge adjacency mat. weighted by bond order |

1585 | Eig05_AEA(bo) | eigenvalue n. 5 from augmented edge adjacency mat. weighted by bond order |

1586 | Eig06_AEA(bo) | eigenvalue n. 6 from augmented edge adjacency mat. weighted by bond order |

1587 | Eig07_AEA(bo) | eigenvalue n. 7 from augmented edge adjacency mat. weighted by bond order |

1588 | Eig08_AEA(bo) | eigenvalue n. 8 from augmented edge adjacency mat. weighted by bond order |

1589 | Eig09_AEA(bo) | eigenvalue n. 9 from augmented edge adjacency mat. weighted by bond order |

1590 | Eig10_AEA(bo) | eigenvalue n. 10 from augmented edge adjacency mat. weighted by bond order |

1591 | Eig11_AEA(bo) | eigenvalue n. 11 from augmented edge adjacency mat. weighted by bond order |

1592 | Eig12_AEA(bo) | eigenvalue n. 12 from augmented edge adjacency mat. weighted by bond order |

1593 | Eig13_AEA(bo) | eigenvalue n. 13 from augmented edge adjacency mat. weighted by bond order |

1594 | Eig14_AEA(bo) | eigenvalue n. 14 from augmented edge adjacency mat. weighted by bond order |

1595 | Eig15_AEA(bo) | eigenvalue n. 15 from augmented edge adjacency mat. weighted by bond order |

1596 | Eig01_AEA(dm) | eigenvalue n. 1 from augmented edge adjacency mat. weighted by dipole moment |

1597 | Eig02_AEA(dm) | eigenvalue n. 2 from augmented edge adjacency mat. weighted by dipole moment |

1598 | Eig03_AEA(dm) | eigenvalue n. 3 from augmented edge adjacency mat. weighted by dipole moment |

1599 | Eig04_AEA(dm) | eigenvalue n. 4 from augmented edge adjacency mat. weighted by dipole moment |

1600 | Eig05_AEA(dm) | eigenvalue n. 5 from augmented edge adjacency mat. weighted by dipole moment |

1601 | Eig06_AEA(dm) | eigenvalue n. 6 from augmented edge adjacency mat. weighted by dipole moment |

1602 | Eig07_AEA(dm) | eigenvalue n. 7 from augmented edge adjacency mat. weighted by dipole moment |

1603 | Eig08_AEA(dm) | eigenvalue n. 8 from augmented edge adjacency mat. weighted by dipole moment |

1604 | Eig09_AEA(dm) | eigenvalue n. 9 from augmented edge adjacency mat. weighted by dipole moment |

1605 | Eig10_AEA(dm) | eigenvalue n. 10 from augmented edge adjacency mat. weighted by dipole moment |

1606 | Eig11_AEA(dm) | eigenvalue n. 11 from augmented edge adjacency mat. weighted by dipole moment |

1607 | Eig12_AEA(dm) | eigenvalue n. 12 from augmented edge adjacency mat. weighted by dipole moment |

1608 | Eig13_AEA(dm) | eigenvalue n. 13 from augmented edge adjacency mat. weighted by dipole moment |

1609 | Eig14_AEA(dm) | eigenvalue n. 14 from augmented edge adjacency mat. weighted by dipole moment |

1610 | Eig15_AEA(dm) | eigenvalue n. 15 from augmented edge adjacency mat. weighted by dipole moment |

1611 | Eig01_AEA(ri) | eigenvalue n. 1 from augmented edge adjacency mat. weighted by resonance integral |

1612 | Eig02_AEA(ri) | eigenvalue n. 2 from augmented edge adjacency mat. weighted by resonance integral |

1613 | Eig03_AEA(ri) | eigenvalue n. 3 from augmented edge adjacency mat. weighted by resonance integral |

1614 | Eig04_AEA(ri) | eigenvalue n. 4 from augmented edge adjacency mat. weighted by resonance integral |

1615 | Eig05_AEA(ri) | eigenvalue n. 5 from augmented edge adjacency mat. weighted by resonance integral |

1616 | Eig06_AEA(ri) | eigenvalue n. 6 from augmented edge adjacency mat. weighted by resonance integral |

1617 | Eig07_AEA(ri) | eigenvalue n. 7 from augmented edge adjacency mat. weighted by resonance integral |

1618 | Eig08_AEA(ri) | eigenvalue n. 8 from augmented edge adjacency mat. weighted by resonance integral |

1619 | Eig09_AEA(ri) | eigenvalue n. 9 from augmented edge adjacency mat. weighted by resonance integral |

1620 | Eig10_AEA(ri) | eigenvalue n. 10 from augmented edge adjacency mat. weighted by resonance integral |

1621 | Eig11_AEA(ri) | eigenvalue n. 11 from augmented edge adjacency mat. weighted by resonance integral |

1622 | Eig12_AEA(ri) | eigenvalue n. 12 from augmented edge adjacency mat. weighted by resonance integral |

1623 | Eig13_AEA(ri) | eigenvalue n. 13 from augmented edge adjacency mat. weighted by resonance integral |

1624 | Eig14_AEA(ri) | eigenvalue n. 14 from augmented edge adjacency mat. weighted by resonance integral |

1625 | Eig15_AEA(ri) | eigenvalue n. 15 from augmented edge adjacency mat. weighted by resonance integral |

## Geometrical descriptors

No. | Name | Description |
---|---|---|

1626 | G1 | gravitational index G1 |

1627 | G2 | gravitational index G2 (bond-restricted) |

1628 | RGyr | radius of gyration (mass weighted) |

1629 | SPAN | span R |

1630 | SPAM | average span R |

1631 | MEcc | molecular eccentricity |

1632 | SPH | spherosity |

1633 | ASP | asphericity |

1634 | PJI3 | 3D Petitjean shape index |

1635 | L/Bw | length-to-breadth ratio by WHIM |

1636 | HOMA | Harmonic Oscillator Model of Aromaticity index |

1637 | CMBL | conjugated maximum bond length |

1638 | AROM | aromaticity index |

1639 | HOMT | HOMA total |

1640 | DISPm | displacement value / weighted by mass |

1641 | QXXm | quadrupole x-component value / weighted by mass |

1642 | QYYm | quadrupole y-component value / weighted by mass |

1643 | QZZm | quadrupole z-component value / weighted by mass |

1644 | DISPv | displacement value / weighted by van der Waals volume |

1645 | QXXv | quadrupole x-component value / weighted by van der Waals volume |

1646 | QYYv | quadrupole y-component value / weighted by van der Waals volume |

1647 | QZZv | quadrupole z-component value / weighted by van der Waals volume |

1648 | DISPe | displacement value / weighted by Sanderson electronegativity |

1649 | QXXe | quadrupole x-component value / weighted by Sanderson electronegativity |

1650 | QYYe | quadrupole y-component value / weighted by Sanderson electronegativity |

1651 | QZZe | quadrupole z-component value / weighted by Sanderson electronegativity |

1652 | DISPp | displacement value / weighted by polarizability |

1653 | QXXp | quadrupole x-component value / weighted by polarizability |

1654 | QYYp | quadrupole y-component value / weighted by polarizability |

1655 | QZZp | quadrupole z-component value / weighted by polarizability |

1656 | DISPi | displacement value / weighted by ionization potential |

1657 | QXXi | quadrupole x-component value / weighted by ionization potential |

1658 | QYYi | quadrupole y-component value / weighted by ionization potential |

1659 | QZZi | quadrupole z-component value / weighted by ionization potential |

1660 | DISPs | displacement value / weighted by I-state |

1661 | QXXs | quadrupole x-component value / weighted by I-state |

1662 | QYYs | quadrupole y-component value / weighted by I-state |

1663 | QZZs | quadrupole z-component value / weighted by I-state |

## 3D matrix-based descriptors

No. | Name | Description |
---|---|---|

1664 | Wi_G | Wiener-like index from geometrical matrix |

1665 | WiA_G | average Wiener-like index from geometrical matrix |

1666 | AVS_G | average vertex sum from geometrical matrix |

1667 | H_G | Harary-like index from geometrical matrix |

1668 | Chi_G | Randic-like index from geometrical matrix |

1669 | ChiA_G | average Randic-like index from geometrical matrix |

1670 | J_G | Balaban-like index from geometrical matrix |

1671 | HyWi_G | hyper-Wiener-like index from geometrical matrix |

1672 | SpAbs_G | graph energy from geometrical matrix |

1673 | SpPos_G | spectral positive sum from geometrical matrix |

1674 | SpPosA_G | normalized spectral positive sum from geometrical matrix |

1675 | SpPosLog_G | logarithmic spectral positive sum from geometrical matrix |

1676 | SpMax_G | leading eigenvalue from geometrical matrix |

1677 | SpMaxA_G | normalized leading eigenvalue from geometrical matrix |

1678 | SpDiam_G | spectral diameter from geometrical matrix |

1679 | SpAD_G | spectral absolute deviation from geometrical matrix |

1680 | SpMAD_G | spectral mean absolute deviation from geometrical matrix |

1681 | Ho_G | Hosoya-like index (log function) from geometrical matrix |

1682 | EE_G | Estrada-like index (log function) from geometrical matrix |

1683 | SM2_G | spectral moment of order 2 from geometrical matrix |

1684 | SM3_G | spectral moment of order 3 from geometrical matrix |

1685 | SM4_G | spectral moment of order 4 from geometrical matrix |

1686 | SM5_G | spectral moment of order 5 from geometrical matrix |

1687 | SM6_G | spectral moment of order 6 from geometrical matrix |

1688 | VE1_G | coefficient sum of the last eigenvector (absolute values) from geometrical matrix |

1689 | VE2_G | average coefficient of the last eigenvector (absolute values) from geometrical matrix |

1690 | VE3_G | logarithmic coefficient sum of the last eigenvector (absolute values) from geometrical matrix |

1691 | VE1sign_G | coefficient sum of the last eigenvector from geometrical matrix |

1692 | VE2sign_G | average coefficient of the last eigenvector from geometrical matrix |

1693 | VE3sign_G | logarithmic coefficient sum of the last eigenvector from geometrical matrix |

1694 | VR1_G | Randic-like eigenvector-based index from geometrical matrix |

1695 | VR2_G | normalized Randic-like eigenvector-based index from geometrical matrix |

1696 | VR3_G | logarithmic Randic-like eigenvector-based index from geometrical matrix |

1697 | Wi_RG | Wiener-like index from reciprocal squared geometrical matrix |

1698 | WiA_RG | average Wiener-like index from reciprocal squared geometrical matrix |

1699 | AVS_RG | average vertex sum from reciprocal squared geometrical matrix |

1700 | H_RG | Harary-like index from reciprocal squared geometrical matrix |

1701 | Chi_RG | Randic-like index from reciprocal squared geometrical matrix |

1702 | ChiA_RG | average Randic-like index from reciprocal squared geometrical matrix |

1703 | J_RG | Balaban-like index from reciprocal squared geometrical matrix |

1704 | HyWi_RG | hyper-Wiener-like index from reciprocal squared geometrical matrix |

1705 | SpAbs_RG | graph energy from reciprocal squared geometrical matrix |

1706 | SpPos_RG | spectral positive sum from reciprocal squared geometrical matrix |

1707 | SpPosA_RG | normalized spectral positive sum from reciprocal squared geometrical matrix |

1708 | SpPosLog_RG | logarithmic spectral positive sum from reciprocal squared geometrical matrix |

1709 | SpMax_RG | leading eigenvalue from reciprocal squared geometrical matrix |

1710 | SpMaxA_RG | normalized leading eigenvalue from reciprocal squared geometrical matrix |

1711 | SpDiam_RG | spectral diameter from reciprocal squared geometrical matrix |

1712 | SpAD_RG | spectral absolute deviation from reciprocal squared geometrical matrix |

1713 | SpMAD_RG | spectral mean absolute deviation from reciprocal squared geometrical matrix |

1714 | Ho_RG | Hosoya-like index (log function) from reciprocal squared geometrical matrix |

1715 | EE_RG | Estrada-like index (log function) from reciprocal squared geometrical matrix |

1716 | SM2_RG | spectral moment of order 2 from reciprocal squared geometrical matrix |

1717 | SM3_RG | spectral moment of order 3 from reciprocal squared geometrical matrix |

1718 | SM4_RG | spectral moment of order 4 from reciprocal squared geometrical matrix |

1719 | SM5_RG | spectral moment of order 5 from reciprocal squared geometrical matrix |

1720 | SM6_RG | spectral moment of order 6 from reciprocal squared geometrical matrix |

1721 | VE1_RG | coefficient sum of the last eigenvector (absolute values) from reciprocal squared geometrical matrix |

1722 | VE2_RG | average coefficient of the last eigenvector (absolute values) from reciprocal squared geometrical matrix |

1723 | VE3_RG | logarithmic coefficient sum of the last eigenvector (absolute values) from reciprocal squared geometrical matrix |

1724 | VE1sign_RG | coefficient sum of the last eigenvector from reciprocal squared geometrical matrix |

1725 | VE2sign_RG | average coefficient of the last eigenvector from reciprocal squared geometrical matrix |

1726 | VE3sign_RG | logarithmic coefficient sum of the last eigenvector from reciprocal squared geometrical matrix |

1727 | VR1_RG | Randic-like eigenvector-based index from reciprocal squared geometrical matrix |

1728 | VR2_RG | normalized Randic-like eigenvector-based index from reciprocal squared geometrical matrix |

1729 | VR3_RG | logarithmic Randic-like eigenvector-based index from reciprocal squared geometrical matrix |

1730 | Wi_G/D | Wiener-like index from distance/distance matrix |

1731 | WiA_G/D | average Wiener-like index from distance/distance matrix |

1732 | AVS_G/D | average vertex sum from distance/distance matrix |

1733 | H_G/D | Harary-like index from distance/distance matrix |

1734 | Chi_G/D | Randic-like index from distance/distance matrix |

1735 | ChiA_G/D | average Randic-like index from distance/distance matrix |

1736 | J_G/D | Balaban-like index from distance/distance matrix |

1737 | HyWi_G/D | hyper-Wiener-like index from distance/distance matrix |

1738 | SpAbs_G/D | graph energy from distance/distance matrix |

1739 | SpPos_G/D | spectral positive sum from distance/distance matrix |

1740 | SpPosA_G/D | normalized spectral positive sum from distance/distance matrix |

1741 | SpPosLog_G/D | logarithmic spectral positive sum from distance/distance matrix |

1742 | SpMax_G/D | leading eigenvalue from distance/distance matrix |

1743 | SpMaxA_G/D | normalized leading eigenvalue from distance/distance matrix (folding degree index) |

1744 | SpDiam_G/D | spectral diameter from distance/distance matrix |

1745 | SpAD_G/D | spectral absolute deviation from distance/distance matrix |

1746 | SpMAD_G/D | spectral mean absolute deviation from distance/distance matrix |

1747 | Ho_G/D | Hosoya-like index (log function) from distance/distance matrix |

1748 | EE_G/D | Estrada-like index (log function) from distance/distance matrix |

1749 | SM2_G/D | spectral moment of order 2 from distance/distance matrix |

1750 | SM3_G/D | spectral moment of order 3 from distance/distance matrix |

1751 | SM4_G/D | spectral moment of order 4 from distance/distance matrix |

1752 | SM5_G/D | spectral moment of order 5 from distance/distance matrix |

1753 | SM6_G/D | spectral moment of order 6 from distance/distance matrix |

1754 | VE1_G/D | coefficient sum of the last eigenvector (absolute values) from distance/distance matrix |

1755 | VE2_G/D | average coefficient of the last eigenvector (absolute values) from distance/distance matrix |

1756 | VE3_G/D | logarithmic coefficient sum of the last eigenvector (absolute values) from distance/distance matrix |

1757 | VE1sign_G/D | coefficient sum of the last eigenvector from distance/distance matrix |

1758 | VE2sign_G/D | average coefficient of the last eigenvector from distance/distance matrix |

1759 | VE3sign_G/D | logarithmic coefficient sum of the last eigenvector from distance/distance matrix |

1760 | VR1_G/D | Randic-like eigenvector-based index from distance/distance matrix |

1761 | VR2_G/D | normalized Randic-like eigenvector-based index from distance/distance matrix |

1762 | VR3_G/D | logarithmic Randic-like eigenvector-based index from distance/distance matrix |

## 3D autocorrelations

No. | Name | Description |
---|---|---|

1763 | TDB01u | 3D Topological distance based descriptors – lag 1 unweighted |

1764 | TDB02u | 3D Topological distance based descriptors – lag 2 unweighted |

1765 | TDB03u | 3D Topological distance based descriptors – lag 3 unweighted |

1766 | TDB04u | 3D Topological distance based descriptors – lag 4 unweighted |

1767 | TDB05u | 3D Topological distance based descriptors – lag 5 unweighted |

1768 | TDB06u | 3D Topological distance based descriptors – lag 6 unweighted |

1769 | TDB07u | 3D Topological distance based descriptors – lag 7 unweighted |

1770 | TDB08u | 3D Topological distance based descriptors – lag 8 unweighted |

1771 | TDB09u | 3D Topological distance based descriptors – lag 9 unweighted |

1772 | TDB10u | 3D Topological distance based descriptors – lag 10 unweighted |

1773 | TDB01m | 3D Topological distance based descriptors – lag 1 weighted by mass |

1774 | TDB02m | 3D Topological distance based descriptors – lag 2 weighted by mass |

1775 | TDB03m | 3D Topological distance based descriptors – lag 3 weighted by mass |

1776 | TDB04m | 3D Topological distance based descriptors – lag 4 weighted by mass |

1777 | TDB05m | 3D Topological distance based descriptors – lag 5 weighted by mass |

1778 | TDB06m | 3D Topological distance based descriptors – lag 6 weighted by mass |

1779 | TDB07m | 3D Topological distance based descriptors – lag 7 weighted by mass |

1780 | TDB08m | 3D Topological distance based descriptors – lag 8 weighted by mass |

1781 | TDB09m | 3D Topological distance based descriptors – lag 9 weighted by mass |

1782 | TDB10m | 3D Topological distance based descriptors – lag 10 weighted by mass |

1783 | TDB01v | 3D Topological distance based descriptors – lag 1 weighted by van der Waals volume |

1784 | TDB02v | 3D Topological distance based descriptors – lag 2 weighted by van der Waals volume |

1785 | TDB03v | 3D Topological distance based descriptors – lag 3 weighted by van der Waals volume |

1786 | TDB04v | 3D Topological distance based descriptors – lag 4 weighted by van der Waals volume |

1787 | TDB05v | 3D Topological distance based descriptors – lag 5 weighted by van der Waals volume |

1788 | TDB06v | 3D Topological distance based descriptors – lag 6 weighted by van der Waals volume |

1789 | TDB07v | 3D Topological distance based descriptors – lag 7 weighted by van der Waals volume |

1790 | TDB08v | 3D Topological distance based descriptors – lag 8 weighted by van der Waals volume |

1791 | TDB09v | 3D Topological distance based descriptors – lag 9 weighted by van der Waals volume |

1792 | TDB10v | 3D Topological distance based descriptors – lag 10 weighted by van der Waals volume |

1793 | TDB01e | 3D Topological distance based descriptors – lag 1 weighted by Sanderson electronegativity |

1794 | TDB02e | 3D Topological distance based descriptors – lag 2 weighted by Sanderson electronegativity |

1795 | TDB03e | 3D Topological distance based descriptors – lag 3 weighted by Sanderson electronegativity |

1796 | TDB04e | 3D Topological distance based descriptors – lag 4 weighted by Sanderson electronegativity |

1797 | TDB05e | 3D Topological distance based descriptors – lag 5 weighted by Sanderson electronegativity |

1798 | TDB06e | 3D Topological distance based descriptors – lag 6 weighted by Sanderson electronegativity |

1799 | TDB07e | 3D Topological distance based descriptors – lag 7 weighted by Sanderson electronegativity |

1800 | TDB08e | 3D Topological distance based descriptors – lag 8 weighted by Sanderson electronegativity |

1801 | TDB09e | 3D Topological distance based descriptors – lag 9 weighted by Sanderson electronegativity |

1802 | TDB10e | 3D Topological distance based descriptors – lag 10 weighted by Sanderson electronegativity |

1803 | TDB01p | 3D Topological distance based descriptors – lag 1 weighted by polarizability |

1804 | TDB02p | 3D Topological distance based descriptors – lag 2 weighted by polarizability |

1805 | TDB03p | 3D Topological distance based descriptors – lag 3 weighted by polarizability |

1806 | TDB04p | 3D Topological distance based descriptors – lag 4 weighted by polarizability |

1807 | TDB05p | 3D Topological distance based descriptors – lag 5 weighted by polarizability |

1808 | TDB06p | 3D Topological distance based descriptors – lag 6 weighted by polarizability |

1809 | TDB07p | 3D Topological distance based descriptors – lag 7 weighted by polarizability |

1810 | TDB08p | 3D Topological distance based descriptors – lag 8 weighted by polarizability |

1811 | TDB09p | 3D Topological distance based descriptors – lag 9 weighted by polarizability |

1812 | TDB10p | 3D Topological distance based descriptors – lag 10 weighted by polarizability |

1813 | TDB01i | 3D Topological distance based descriptors – lag 1 weighted by ionization potential |

1814 | TDB02i | 3D Topological distance based descriptors – lag 2 weighted by ionization potential |

1815 | TDB03i | 3D Topological distance based descriptors – lag 3 weighted by ionization potential |

1816 | TDB04i | 3D Topological distance based descriptors – lag 4 weighted by ionization potential |

1817 | TDB05i | 3D Topological distance based descriptors – lag 5 weighted by ionization potential |

1818 | TDB06i | 3D Topological distance based descriptors – lag 6 weighted by ionization potential |

1819 | TDB07i | 3D Topological distance based descriptors – lag 7 weighted by ionization potential |

1820 | TDB08i | 3D Topological distance based descriptors – lag 8 weighted by ionization potential |

1821 | TDB09i | 3D Topological distance based descriptors – lag 9 weighted by ionization potential |

1822 | TDB10i | 3D Topological distance based descriptors – lag 10 weighted by ionization potential |

1823 | TDB01s | 3D Topological distance based descriptors – lag 1 weighted by I-state |

1824 | TDB02s | 3D Topological distance based descriptors – lag 2 weighted by I-state |

1825 | TDB03s | 3D Topological distance based descriptors – lag 3 weighted by I-state |

1826 | TDB04s | 3D Topological distance based descriptors – lag 4 weighted by I-state |

1827 | TDB05s | 3D Topological distance based descriptors – lag 5 weighted by I-state |

1828 | TDB06s | 3D Topological distance based descriptors – lag 6 weighted by I-state |

1829 | TDB07s | 3D Topological distance based descriptors – lag 7 weighted by I-state |

1830 | TDB08s | 3D Topological distance based descriptors – lag 8 weighted by I-state |

1831 | TDB09s | 3D Topological distance based descriptors – lag 9 weighted by I-state |

1832 | TDB10s | 3D Topological distance based descriptors – lag 10 weighted by I-state |

1833 | TDB01r | 3D Topological distance based descriptors – lag 1 weighted by covalent radius |

1834 | TDB02r | 3D Topological distance based descriptors – lag 2 weighted by covalent radius |

1835 | TDB03r | 3D Topological distance based descriptors – lag 3 weighted by covalent radius |

1836 | TDB04r | 3D Topological distance based descriptors – lag 4 weighted by covalent radius |

1837 | TDB05r | 3D Topological distance based descriptors – lag 5 weighted by covalent radius |

1838 | TDB06r | 3D Topological distance based descriptors – lag 6 weighted by covalent radius |

1839 | TDB07r | 3D Topological distance based descriptors – lag 7 weighted by covalent radius |

1840 | TDB08r | 3D Topological distance based descriptors – lag 8 weighted by covalent radius |

1841 | TDB09r | 3D Topological distance based descriptors – lag 9 weighted by covalent radius |

1842 | TDB10r | 3D Topological distance based descriptors – lag 10 weighted by covalent radius |

## RDF descriptors

No. | Name | Description |
---|---|---|

1843 | RDF010u | Radial Distribution Function – 010 / unweighted |

1844 | RDF015u | Radial Distribution Function – 015 / unweighted |

1845 | RDF020u | Radial Distribution Function – 020 / unweighted |

1846 | RDF025u | Radial Distribution Function – 025 / unweighted |

1847 | RDF030u | Radial Distribution Function – 030 / unweighted |

1848 | RDF035u | Radial Distribution Function – 035 / unweighted |

1849 | RDF040u | Radial Distribution Function – 040 / unweighted |

1850 | RDF045u | Radial Distribution Function – 045 / unweighted |

1851 | RDF050u | Radial Distribution Function – 050 / unweighted |

1852 | RDF055u | Radial Distribution Function – 055 / unweighted |

1853 | RDF060u | Radial Distribution Function – 060 / unweighted |

1854 | RDF065u | Radial Distribution Function – 065 / unweighted |

1855 | RDF070u | Radial Distribution Function – 070 / unweighted |

1856 | RDF075u | Radial Distribution Function – 075 / unweighted |

1857 | RDF080u | Radial Distribution Function – 080 / unweighted |

1858 | RDF085u | Radial Distribution Function – 085 / unweighted |

1859 | RDF090u | Radial Distribution Function – 090 / unweighted |

1860 | RDF095u | Radial Distribution Function – 095 / unweighted |

1861 | RDF100u | Radial Distribution Function – 100 / unweighted |

1862 | RDF105u | Radial Distribution Function – 105 / unweighted |

1863 | RDF110u | Radial Distribution Function – 110 / unweighted |

1864 | RDF115u | Radial Distribution Function – 115 / unweighted |

1865 | RDF120u | Radial Distribution Function – 120 / unweighted |

1866 | RDF125u | Radial Distribution Function – 125 / unweighted |

1867 | RDF130u | Radial Distribution Function – 130 / unweighted |

1868 | RDF135u | Radial Distribution Function – 135 / unweighted |

1869 | RDF140u | Radial Distribution Function – 140 / unweighted |

1870 | RDF145u | Radial Distribution Function – 145 / unweighted |

1871 | RDF150u | Radial Distribution Function – 150 / unweighted |

1872 | RDF155u | Radial Distribution Function – 155 / unweighted |

1873 | RDF010m | Radial Distribution Function – 010 / weighted by mass |

1874 | RDF015m | Radial Distribution Function – 015 / weighted by mass |

1875 | RDF020m | Radial Distribution Function – 020 / weighted by mass |

1876 | RDF025m | Radial Distribution Function – 025 / weighted by mass |

1877 | RDF030m | Radial Distribution Function – 030 / weighted by mass |

1878 | RDF035m | Radial Distribution Function – 035 / weighted by mass |

1879 | RDF040m | Radial Distribution Function – 040 / weighted by mass |

1880 | RDF045m | Radial Distribution Function – 045 / weighted by mass |

1881 | RDF050m | Radial Distribution Function – 050 / weighted by mass |

1882 | RDF055m | Radial Distribution Function – 055 / weighted by mass |

1883 | RDF060m | Radial Distribution Function – 060 / weighted by mass |

1884 | RDF065m | Radial Distribution Function – 065 / weighted by mass |

1885 | RDF070m | Radial Distribution Function – 070 / weighted by mass |

1886 | RDF075m | Radial Distribution Function – 075 / weighted by mass |

1887 | RDF080m | Radial Distribution Function – 080 / weighted by mass |

1888 | RDF085m | Radial Distribution Function – 085 / weighted by mass |

1889 | RDF090m | Radial Distribution Function – 090 / weighted by mass |

1890 | RDF095m | Radial Distribution Function – 095 / weighted by mass |

1891 | RDF100m | Radial Distribution Function – 100 / weighted by mass |

1892 | RDF105m | Radial Distribution Function – 105 / weighted by mass |

1893 | RDF110m | Radial Distribution Function – 110 / weighted by mass |

1894 | RDF115m | Radial Distribution Function – 115 / weighted by mass |

1895 | RDF120m | Radial Distribution Function – 120 / weighted by mass |

1896 | RDF125m | Radial Distribution Function – 125 / weighted by mass |

1897 | RDF130m | Radial Distribution Function – 130 / weighted by mass |

1898 | RDF135m | Radial Distribution Function – 135 / weighted by mass |

1899 | RDF140m | Radial Distribution Function – 140 / weighted by mass |

1900 | RDF145m | Radial Distribution Function – 145 / weighted by mass |

1901 | RDF150m | Radial Distribution Function – 150 / weighted by mass |

1902 | RDF155m | Radial Distribution Function – 155 / weighted by mass |

1903 | RDF010v | Radial Distribution Function – 010 / weighted by van der Waals volume |

1904 | RDF015v | Radial Distribution Function – 015 / weighted by van der Waals volume |

1905 | RDF020v | Radial Distribution Function – 020 / weighted by van der Waals volume |

1906 | RDF025v | Radial Distribution Function – 025 / weighted by van der Waals volume |

1907 | RDF030v | Radial Distribution Function – 030 / weighted by van der Waals volume |

1908 | RDF035v | Radial Distribution Function – 035 / weighted by van der Waals volume |

1909 | RDF040v | Radial Distribution Function – 040 / weighted by van der Waals volume |

1910 | RDF045v | Radial Distribution Function – 045 / weighted by van der Waals volume |

1911 | RDF050v | Radial Distribution Function – 050 / weighted by van der Waals volume |

1912 | RDF055v | Radial Distribution Function – 055 / weighted by van der Waals volume |

1913 | RDF060v | Radial Distribution Function – 060 / weighted by van der Waals volume |

1914 | RDF065v | Radial Distribution Function – 065 / weighted by van der Waals volume |

1915 | RDF070v | Radial Distribution Function – 070 / weighted by van der Waals volume |

1916 | RDF075v | Radial Distribution Function – 075 / weighted by van der Waals volume |

1917 | RDF080v | Radial Distribution Function – 080 / weighted by van der Waals volume |

1918 | RDF085v | Radial Distribution Function – 085 / weighted by van der Waals volume |

1919 | RDF090v | Radial Distribution Function – 090 / weighted by van der Waals volume |

1920 | RDF095v | Radial Distribution Function – 095 / weighted by van der Waals volume |

1921 | RDF100v | Radial Distribution Function – 100 / weighted by van der Waals volume |

1922 | RDF105v | Radial Distribution Function – 105 / weighted by van der Waals volume |

1923 | RDF110v | Radial Distribution Function – 110 / weighted by van der Waals volume |

1924 | RDF115v | Radial Distribution Function – 115 / weighted by van der Waals volume |

1925 | RDF120v | Radial Distribution Function – 120 / weighted by van der Waals volume |

1926 | RDF125v | Radial Distribution Function – 125 / weighted by van der Waals volume |

1927 | RDF130v | Radial Distribution Function – 130 / weighted by van der Waals volume |

1928 | RDF135v | Radial Distribution Function – 135 / weighted by van der Waals volume |

1929 | RDF140v | Radial Distribution Function – 140 / weighted by van der Waals volume |

1930 | RDF145v | Radial Distribution Function – 145 / weighted by van der Waals volume |

1931 | RDF150v | Radial Distribution Function – 150 / weighted by van der Waals volume |

1932 | RDF155v | Radial Distribution Function – 155 / weighted by van der Waals volume |

1933 | RDF010e | Radial Distribution Function – 010 / weighted by Sanderson electronegativity |

1934 | RDF015e | Radial Distribution Function – 015 / weighted by Sanderson electronegativity |

1935 | RDF020e | Radial Distribution Function – 020 / weighted by Sanderson electronegativity |

1936 | RDF025e | Radial Distribution Function – 025 / weighted by Sanderson electronegativity |

1937 | RDF030e | Radial Distribution Function – 030 / weighted by Sanderson electronegativity |

1938 | RDF035e | Radial Distribution Function – 035 / weighted by Sanderson electronegativity |

1939 | RDF040e | Radial Distribution Function – 040 / weighted by Sanderson electronegativity |

1940 | RDF045e | Radial Distribution Function – 045 / weighted by Sanderson electronegativity |

1941 | RDF050e | Radial Distribution Function – 050 / weighted by Sanderson electronegativity |

1942 | RDF055e | Radial Distribution Function – 055 / weighted by Sanderson electronegativity |

1943 | RDF060e | Radial Distribution Function – 060 / weighted by Sanderson electronegativity |

1944 | RDF065e | Radial Distribution Function – 065 / weighted by Sanderson electronegativity |

1945 | RDF070e | Radial Distribution Function – 070 / weighted by Sanderson electronegativity |

1946 | RDF075e | Radial Distribution Function – 075 / weighted by Sanderson electronegativity |

1947 | RDF080e | Radial Distribution Function – 080 / weighted by Sanderson electronegativity |

1948 | RDF085e | Radial Distribution Function – 085 / weighted by Sanderson electronegativity |

1949 | RDF090e | Radial Distribution Function – 090 / weighted by Sanderson electronegativity |

1950 | RDF095e | Radial Distribution Function – 095 / weighted by Sanderson electronegativity |

1951 | RDF100e | Radial Distribution Function – 100 / weighted by Sanderson electronegativity |

1952 | RDF105e | Radial Distribution Function – 105 / weighted by Sanderson electronegativity |

1953 | RDF110e | Radial Distribution Function – 110 / weighted by Sanderson electronegativity |

1954 | RDF115e | Radial Distribution Function – 115 / weighted by Sanderson electronegativity |

1955 | RDF120e | Radial Distribution Function – 120 / weighted by Sanderson electronegativity |

1956 | RDF125e | Radial Distribution Function – 125 / weighted by Sanderson electronegativity |

1957 | RDF130e | Radial Distribution Function – 130 / weighted by Sanderson electronegativity |

1958 | RDF135e | Radial Distribution Function – 135 / weighted by Sanderson electronegativity |

1959 | RDF140e | Radial Distribution Function – 140 / weighted by Sanderson electronegativity |

1960 | RDF145e | Radial Distribution Function – 145 / weighted by Sanderson electronegativity |

1961 | RDF150e | Radial Distribution Function – 150 / weighted by Sanderson electronegativity |

1962 | RDF155e | Radial Distribution Function – 155 / weighted by Sanderson electronegativity |

1963 | RDF010p | Radial Distribution Function – 010 / weighted by polarizability |

1964 | RDF015p | Radial Distribution Function – 015 / weighted by polarizability |

1965 | RDF020p | Radial Distribution Function – 020 / weighted by polarizability |

1966 | RDF025p | Radial Distribution Function – 025 / weighted by polarizability |

1967 | RDF030p | Radial Distribution Function – 030 / weighted by polarizability |

1968 | RDF035p | Radial Distribution Function – 035 / weighted by polarizability |

1969 | RDF040p | Radial Distribution Function – 040 / weighted by polarizability |

1970 | RDF045p | Radial Distribution Function – 045 / weighted by polarizability |

1971 | RDF050p | Radial Distribution Function – 050 / weighted by polarizability |

1972 | RDF055p | Radial Distribution Function – 055 / weighted by polarizability |

1973 | RDF060p | Radial Distribution Function – 060 / weighted by polarizability |

1974 | RDF065p | Radial Distribution Function – 065 / weighted by polarizability |

1975 | RDF070p | Radial Distribution Function – 070 / weighted by polarizability |

1976 | RDF075p | Radial Distribution Function – 075 / weighted by polarizability |

1977 | RDF080p | Radial Distribution Function – 080 / weighted by polarizability |

1978 | RDF085p | Radial Distribution Function – 085 / weighted by polarizability |

1979 | RDF090p | Radial Distribution Function – 090 / weighted by polarizability |

1980 | RDF095p | Radial Distribution Function – 095 / weighted by polarizability |

1981 | RDF100p | Radial Distribution Function – 100 / weighted by polarizability |

1982 | RDF105p | Radial Distribution Function – 105 / weighted by polarizability |

1983 | RDF110p | Radial Distribution Function – 110 / weighted by polarizability |

1984 | RDF115p | Radial Distribution Function – 115 / weighted by polarizability |

1985 | RDF120p | Radial Distribution Function – 120 / weighted by polarizability |

1986 | RDF125p | Radial Distribution Function – 125 / weighted by polarizability |

1987 | RDF130p | Radial Distribution Function – 130 / weighted by polarizability |

1988 | RDF135p | Radial Distribution Function – 135 / weighted by polarizability |

1989 | RDF140p | Radial Distribution Function – 140 / weighted by polarizability |

1990 | RDF145p | Radial Distribution Function – 145 / weighted by polarizability |

1991 | RDF150p | Radial Distribution Function – 150 / weighted by polarizability |

1992 | RDF155p | Radial Distribution Function – 155 / weighted by polarizability |

1993 | RDF010i | Radial Distribution Function – 010 / weighted by ionization potential |

1994 | RDF015i | Radial Distribution Function – 015 / weighted by ionization potential |

1995 | RDF020i | Radial Distribution Function – 020 / weighted by ionization potential |

1996 | RDF025i | Radial Distribution Function – 025 / weighted by ionization potential |

1997 | RDF030i | Radial Distribution Function – 030 / weighted by ionization potential |

1998 | RDF035i | Radial Distribution Function – 035 / weighted by ionization potential |

1999 | RDF040i | Radial Distribution Function – 040 / weighted by ionization potential |

2000 | RDF045i | Radial Distribution Function – 045 / weighted by ionization potential |

2001 | RDF050i | Radial Distribution Function – 050 / weighted by ionization potential |

2002 | RDF055i | Radial Distribution Function – 055 / weighted by ionization potential |

2003 | RDF060i | Radial Distribution Function – 060 / weighted by ionization potential |

2004 | RDF065i | Radial Distribution Function – 065 / weighted by ionization potential |

2005 | RDF070i | Radial Distribution Function – 070 / weighted by ionization potential |

2006 | RDF075i | Radial Distribution Function – 075 / weighted by ionization potential |

2007 | RDF080i | Radial Distribution Function – 080 / weighted by ionization potential |

2008 | RDF085i | Radial Distribution Function – 085 / weighted by ionization potential |

2009 | RDF090i | Radial Distribution Function – 090 / weighted by ionization potential |

2010 | RDF095i | Radial Distribution Function – 095 / weighted by ionization potential |

2011 | RDF100i | Radial Distribution Function – 100 / weighted by ionization potential |

2012 | RDF105i | Radial Distribution Function – 105 / weighted by ionization potential |

2013 | RDF110i | Radial Distribution Function – 110 / weighted by ionization potential |

2014 | RDF115i | Radial Distribution Function – 115 / weighted by ionization potential |

2015 | RDF120i | Radial Distribution Function – 120 / weighted by ionization potential |

2016 | RDF125i | Radial Distribution Function – 125 / weighted by ionization potential |

2017 | RDF130i | Radial Distribution Function – 130 / weighted by ionization potential |

2018 | RDF135i | Radial Distribution Function – 135 / weighted by ionization potential |

2019 | RDF140i | Radial Distribution Function – 140 / weighted by ionization potential |

2020 | RDF145i | Radial Distribution Function – 145 / weighted by ionization potential |

2021 | RDF150i | Radial Distribution Function – 150 / weighted by ionization potential |

2022 | RDF155i | Radial Distribution Function – 155 / weighted by ionization potential |

2023 | RDF010s | Radial Distribution Function – 010 / weighted by I-state |

2024 | RDF015s | Radial Distribution Function – 015 / weighted by I-state |

2025 | RDF020s | Radial Distribution Function – 020 / weighted by I-state |

2026 | RDF025s | Radial Distribution Function – 025 / weighted by I-state |

2027 | RDF030s | Radial Distribution Function – 030 / weighted by I-state |

2028 | RDF035s | Radial Distribution Function – 035 / weighted by I-state |

2029 | RDF040s | Radial Distribution Function – 040 / weighted by I-state |

2030 | RDF045s | Radial Distribution Function – 045 / weighted by I-state |

2031 | RDF050s | Radial Distribution Function – 050 / weighted by I-state |

2032 | RDF055s | Radial Distribution Function – 055 / weighted by I-state |

2033 | RDF060s | Radial Distribution Function – 060 / weighted by I-state |

2034 | RDF065s | Radial Distribution Function – 065 / weighted by I-state |

2035 | RDF070s | Radial Distribution Function – 070 / weighted by I-state |

2036 | RDF075s | Radial Distribution Function – 075 / weighted by I-state |

2037 | RDF080s | Radial Distribution Function – 080 / weighted by I-state |

2038 | RDF085s | Radial Distribution Function – 085 / weighted by I-state |

2039 | RDF090s | Radial Distribution Function – 090 / weighted by I-state |

2040 | RDF095s | Radial Distribution Function – 095 / weighted by I-state |

2041 | RDF100s | Radial Distribution Function – 100 / weighted by I-state |

2042 | RDF105s | Radial Distribution Function – 105 / weighted by I-state |

2043 | RDF110s | Radial Distribution Function – 110 / weighted by I-state |

2044 | RDF115s | Radial Distribution Function – 115 / weighted by I-state |

2045 | RDF120s | Radial Distribution Function – 120 / weighted by I-state |

2046 | RDF125s | Radial Distribution Function – 125 / weighted by I-state |

2047 | RDF130s | Radial Distribution Function – 130 / weighted by I-state |

2048 | RDF135s | Radial Distribution Function – 135 / weighted by I-state |

2049 | RDF140s | Radial Distribution Function – 140 / weighted by I-state |

2050 | RDF145s | Radial Distribution Function – 145 / weighted by I-state |

2051 | RDF150s | Radial Distribution Function – 150 / weighted by I-state |

2052 | RDF155s | Radial Distribution Function – 155 / weighted by I-state |

## 3D-MoRSE descriptors

No. | Name | Description |
---|---|---|

2053 | Mor01u | signal 01 / unweighted |

2054 | Mor02u | signal 02 / unweighted |

2055 | Mor03u | signal 03 / unweighted |

2056 | Mor04u | signal 04 / unweighted |

2057 | Mor05u | signal 05 / unweighted |

2058 | Mor06u | signal 06 / unweighted |

2059 | Mor07u | signal 07 / unweighted |

2060 | Mor08u | signal 08 / unweighted |

2061 | Mor09u | signal 09 / unweighted |

2062 | Mor10u | signal 10 / unweighted |

2063 | Mor11u | signal 11 / unweighted |

2064 | Mor12u | signal 12 / unweighted |

2065 | Mor13u | signal 13 / unweighted |

2066 | Mor14u | signal 14 / unweighted |

2067 | Mor15u | signal 15 / unweighted |

2068 | Mor16u | signal 16 / unweighted |

2069 | Mor17u | signal 17 / unweighted |

2070 | Mor18u | signal 18 / unweighted |

2071 | Mor19u | signal 19 / unweighted |

2072 | Mor20u | signal 20 / unweighted |

2073 | Mor21u | signal 21 / unweighted |

2074 | Mor22u | signal 22 / unweighted |

2075 | Mor23u | signal 23 / unweighted |

2076 | Mor24u | signal 24 / unweighted |

2077 | Mor25u | signal 25 / unweighted |

2078 | Mor26u | signal 26 / unweighted |

2079 | Mor27u | signal 27 / unweighted |

2080 | Mor28u | signal 28 / unweighted |

2081 | Mor29u | signal 29 / unweighted |

2082 | Mor30u | signal 30 / unweighted |

2083 | Mor31u | signal 31 / unweighted |

2084 | Mor32u | signal 32 / unweighted |

2085 | Mor01m | signal 01 / weighted by mass |

2086 | Mor02m | signal 02 / weighted by mass |

2087 | Mor03m | signal 03 / weighted by mass |

2088 | Mor04m | signal 04 / weighted by mass |

2089 | Mor05m | signal 05 / weighted by mass |

2090 | Mor06m | signal 06 / weighted by mass |

2091 | Mor07m | signal 07 / weighted by mass |

2092 | Mor08m | signal 08 / weighted by mass |

2093 | Mor09m | signal 09 / weighted by mass |

2094 | Mor10m | signal 10 / weighted by mass |

2095 | Mor11m | signal 11 / weighted by mass |

2096 | Mor12m | signal 12 / weighted by mass |

2097 | Mor13m | signal 13 / weighted by mass |

2098 | Mor14m | signal 14 / weighted by mass |

2099 | Mor15m | signal 15 / weighted by mass |

2100 | Mor16m | signal 16 / weighted by mass |

2101 | Mor17m | signal 17 / weighted by mass |

2102 | Mor18m | signal 18 / weighted by mass |

2103 | Mor19m | signal 19 / weighted by mass |

2104 | Mor20m | signal 20 / weighted by mass |

2105 | Mor21m | signal 21 / weighted by mass |

2106 | Mor22m | signal 22 / weighted by mass |

2107 | Mor23m | signal 23 / weighted by mass |

2108 | Mor24m | signal 24 / weighted by mass |

2109 | Mor25m | signal 25 / weighted by mass |

2110 | Mor26m | signal 26 / weighted by mass |

2111 | Mor27m | signal 27 / weighted by mass |

2112 | Mor28m | signal 28 / weighted by mass |

2113 | Mor29m | signal 29 / weighted by mass |

2114 | Mor30m | signal 30 / weighted by mass |

2115 | Mor31m | signal 31 / weighted by mass |

2116 | Mor32m | signal 32 / weighted by mass |

2117 | Mor01v | signal 01 / weighted by van der Waals volume |

2118 | Mor02v | signal 02 / weighted by van der Waals volume |

2119 | Mor03v | signal 03 / weighted by van der Waals volume |

2120 | Mor04v | signal 04 / weighted by van der Waals volume |

2121 | Mor05v | signal 05 / weighted by van der Waals volume |

2122 | Mor06v | signal 06 / weighted by van der Waals volume |

2123 | Mor07v | signal 07 / weighted by van der Waals volume |

2124 | Mor08v | signal 08 / weighted by van der Waals volume |

2125 | Mor09v | signal 09 / weighted by van der Waals volume |

2126 | Mor10v | signal 10 / weighted by van der Waals volume |

2127 | Mor11v | signal 11 / weighted by van der Waals volume |

2128 | Mor12v | signal 12 / weighted by van der Waals volume |

2129 | Mor13v | signal 13 / weighted by van der Waals volume |

2130 | Mor14v | signal 14 / weighted by van der Waals volume |

2131 | Mor15v | signal 15 / weighted by van der Waals volume |

2132 | Mor16v | signal 16 / weighted by van der Waals volume |

2133 | Mor17v | signal 17 / weighted by van der Waals volume |

2134 | Mor18v | signal 18 / weighted by van der Waals volume |

2135 | Mor19v | signal 19 / weighted by van der Waals volume |

2136 | Mor20v | signal 20 / weighted by van der Waals volume |

2137 | Mor21v | signal 21 / weighted by van der Waals volume |

2138 | Mor22v | signal 22 / weighted by van der Waals volume |

2139 | Mor23v | signal 23 / weighted by van der Waals volume |

2140 | Mor24v | signal 24 / weighted by van der Waals volume |

2141 | Mor25v | signal 25 / weighted by van der Waals volume |

2142 | Mor26v | signal 26 / weighted by van der Waals volume |

2143 | Mor27v | signal 27 / weighted by van der Waals volume |

2144 | Mor28v | signal 28 / weighted by van der Waals volume |

2145 | Mor29v | signal 29 / weighted by van der Waals volume |

2146 | Mor30v | signal 30 / weighted by van der Waals volume |

2147 | Mor31v | signal 31 / weighted by van der Waals volume |

2148 | Mor32v | signal 32 / weighted by van der Waals volume |

2149 | Mor01e | signal 01 / weighted by Sanderson electronegativity |

2150 | Mor02e | signal 02 / weighted by Sanderson electronegativity |

2151 | Mor03e | signal 03 / weighted by Sanderson electronegativity |

2152 | Mor04e | signal 04 / weighted by Sanderson electronegativity |

2153 | Mor05e | signal 05 / weighted by Sanderson electronegativity |

2154 | Mor06e | signal 06 / weighted by Sanderson electronegativity |

2155 | Mor07e | signal 07 / weighted by Sanderson electronegativity |

2156 | Mor08e | signal 08 / weighted by Sanderson electronegativity |

2157 | Mor09e | signal 09 / weighted by Sanderson electronegativity |

2158 | Mor10e | signal 10 / weighted by Sanderson electronegativity |

2159 | Mor11e | signal 11 / weighted by Sanderson electronegativity |

2160 | Mor12e | signal 12 / weighted by Sanderson electronegativity |

2161 | Mor13e | signal 13 / weighted by Sanderson electronegativity |

2162 | Mor14e | signal 14 / weighted by Sanderson electronegativity |

2163 | Mor15e | signal 15 / weighted by Sanderson electronegativity |

2164 | Mor16e | signal 16 / weighted by Sanderson electronegativity |

2165 | Mor17e | signal 17 / weighted by Sanderson electronegativity |

2166 | Mor18e | signal 18 / weighted by Sanderson electronegativity |

2167 | Mor19e | signal 19 / weighted by Sanderson electronegativity |

2168 | Mor20e | signal 20 / weighted by Sanderson electronegativity |

2169 | Mor21e | signal 21 / weighted by Sanderson electronegativity |

2170 | Mor22e | signal 22 / weighted by Sanderson electronegativity |

2171 | Mor23e | signal 23 / weighted by Sanderson electronegativity |

2172 | Mor24e | signal 24 / weighted by Sanderson electronegativity |

2173 | Mor25e | signal 25 / weighted by Sanderson electronegativity |

2174 | Mor26e | signal 26 / weighted by Sanderson electronegativity |

2175 | Mor27e | signal 27 / weighted by Sanderson electronegativity |

2176 | Mor28e | signal 28 / weighted by Sanderson electronegativity |

2177 | Mor29e | signal 29 / weighted by Sanderson electronegativity |

2178 | Mor30e | signal 30 / weighted by Sanderson electronegativity |

2179 | Mor31e | signal 31 / weighted by Sanderson electronegativity |

2180 | Mor32e | signal 32 / weighted by Sanderson electronegativity |

2181 | Mor01p | signal 01 / weighted by polarizability |

2182 | Mor02p | signal 02 / weighted by polarizability |

2183 | Mor03p | signal 03 / weighted by polarizability |

2184 | Mor04p | signal 04 / weighted by polarizability |

2185 | Mor05p | signal 05 / weighted by polarizability |

2186 | Mor06p | signal 06 / weighted by polarizability |

2187 | Mor07p | signal 07 / weighted by polarizability |

2188 | Mor08p | signal 08 / weighted by polarizability |

2189 | Mor09p | signal 09 / weighted by polarizability |

2190 | Mor10p | signal 10 / weighted by polarizability |

2191 | Mor11p | signal 11 / weighted by polarizability |

2192 | Mor12p | signal 12 / weighted by polarizability |

2193 | Mor13p | signal 13 / weighted by polarizability |

2194 | Mor14p | signal 14 / weighted by polarizability |

2195 | Mor15p | signal 15 / weighted by polarizability |

2196 | Mor16p | signal 16 / weighted by polarizability |

2197 | Mor17p | signal 17 / weighted by polarizability |

2198 | Mor18p | signal 18 / weighted by polarizability |

2199 | Mor19p | signal 19 / weighted by polarizability |

2200 | Mor20p | signal 20 / weighted by polarizability |

2201 | Mor21p | signal 21 / weighted by polarizability |

2202 | Mor22p | signal 22 / weighted by polarizability |

2203 | Mor23p | signal 23 / weighted by polarizability |

2204 | Mor24p | signal 24 / weighted by polarizability |

2205 | Mor25p | signal 25 / weighted by polarizability |

2206 | Mor26p | signal 26 / weighted by polarizability |

2207 | Mor27p | signal 27 / weighted by polarizability |

2208 | Mor28p | signal 28 / weighted by polarizability |

2209 | Mor29p | signal 29 / weighted by polarizability |

2210 | Mor30p | signal 30 / weighted by polarizability |

2211 | Mor31p | signal 31 / weighted by polarizability |

2212 | Mor32p | signal 32 / weighted by polarizability |

2213 | Mor01i | signal 01 / weighted by ionization potential |

2214 | Mor02i | signal 02 / weighted by ionization potential |

2215 | Mor03i | signal 03 / weighted by ionization potential |

2216 | Mor04i | signal 04 / weighted by ionization potential |

2217 | Mor05i | signal 05 / weighted by ionization potential |

2218 | Mor06i | signal 06 / weighted by ionization potential |

2219 | Mor07i | signal 07 / weighted by ionization potential |

2220 | Mor08i | signal 08 / weighted by ionization potential |

2221 | Mor09i | signal 09 / weighted by ionization potential |

2222 | Mor10i | signal 10 / weighted by ionization potential |

2223 | Mor11i | signal 11 / weighted by ionization potential |

2224 | Mor12i | signal 12 / weighted by ionization potential |

2225 | Mor13i | signal 13 / weighted by ionization potential |

2226 | Mor14i | signal 14 / weighted by ionization potential |

2227 | Mor15i | signal 15 / weighted by ionization potential |

2228 | Mor16i | signal 16 / weighted by ionization potential |

2229 | Mor17i | signal 17 / weighted by ionization potential |

2230 | Mor18i | signal 18 / weighted by ionization potential |

2231 | Mor19i | signal 19 / weighted by ionization potential |

2232 | Mor20i | signal 20 / weighted by ionization potential |

2233 | Mor21i | signal 21 / weighted by ionization potential |

2234 | Mor22i | signal 22 / weighted by ionization potential |

2235 | Mor23i | signal 23 / weighted by ionization potential |

2236 | Mor24i | signal 24 / weighted by ionization potential |

2237 | Mor25i | signal 25 / weighted by ionization potential |

2238 | Mor26i | signal 26 / weighted by ionization potential |

2239 | Mor27i | signal 27 / weighted by ionization potential |

2240 | Mor28i | signal 28 / weighted by ionization potential |

2241 | Mor29i | signal 29 / weighted by ionization potential |

2242 | Mor30i | signal 30 / weighted by ionization potential |

2243 | Mor31i | signal 31 / weighted by ionization potential |

2244 | Mor32i | signal 32 / weighted by ionization potential |

2245 | Mor01s | signal 01 / weighted by I-state |

2246 | Mor02s | signal 02 / weighted by I-state |

2247 | Mor03s | signal 03 / weighted by I-state |

2248 | Mor04s | signal 04 / weighted by I-state |

2249 | Mor05s | signal 05 / weighted by I-state |

2250 | Mor06s | signal 06 / weighted by I-state |

2251 | Mor07s | signal 07 / weighted by I-state |

2252 | Mor08s | signal 08 / weighted by I-state |

2253 | Mor09s | signal 09 / weighted by I-state |

2254 | Mor10s | signal 10 / weighted by I-state |

2255 | Mor11s | signal 11 / weighted by I-state |

2256 | Mor12s | signal 12 / weighted by I-state |

2257 | Mor13s | signal 13 / weighted by I-state |

2258 | Mor14s | signal 14 / weighted by I-state |

2259 | Mor15s | signal 15 / weighted by I-state |

2260 | Mor16s | signal 16 / weighted by I-state |

2261 | Mor17s | signal 17 / weighted by I-state |

2262 | Mor18s | signal 18 / weighted by I-state |

2263 | Mor19s | signal 19 / weighted by I-state |

2264 | Mor20s | signal 20 / weighted by I-state |

2265 | Mor21s | signal 21 / weighted by I-state |

2266 | Mor22s | signal 22 / weighted by I-state |

2267 | Mor23s | signal 23 / weighted by I-state |

2268 | Mor24s | signal 24 / weighted by I-state |

2269 | Mor25s | signal 25 / weighted by I-state |

2270 | Mor26s | signal 26 / weighted by I-state |

2271 | Mor27s | signal 27 / weighted by I-state |

2272 | Mor28s | signal 28 / weighted by I-state |

2273 | Mor29s | signal 29 / weighted by I-state |

2274 | Mor30s | signal 30 / weighted by I-state |

2275 | Mor31s | signal 31 / weighted by I-state |

2276 | Mor32s | signal 32 / weighted by I-state |

## WHIM descriptors

No. | Name | Description |
---|---|---|

2277 | L1u | 1st component size directional WHIM index / unweighted |

2278 | L2u | 2nd component size directional WHIM index / unweighted |

2279 | L3u | 3rd component size directional WHIM index / unweighted |

2280 | P1u | 1st component shape directional WHIM index / unweighted |

2281 | P2u | 2nd component shape directional WHIM index / unweighted |

2282 | G1u | 1st component symmetry directional WHIM index / unweighted |

2283 | G2u | 2nd component symmetry directional WHIM index / unweighted |

2284 | G3u | 3rd component symmetry directional WHIM index / unweighted |

2285 | E1u | 1st component accessibility directional WHIM index / unweighted |

2286 | E2u | 2nd component accessibility directional WHIM index / unweighted |

2287 | E3u | 3rd component accessibility directional WHIM index / unweighted |

2288 | L1m | 1st component size directional WHIM index / weighted by mass |

2289 | L2m | 2nd component size directional WHIM index / weighted by mass |

2290 | L3m | 3rd component size directional WHIM index / weighted by mass |

2291 | P1m | 1st component shape directional WHIM index / weighted by mass |

2292 | P2m | 2nd component shape directional WHIM index / weighted by mass |

2293 | G1m | 1st component symmetry directional WHIM index / weighted by mass |

2294 | G2m | 2nd component symmetry directional WHIM index / weighted by mass |

2295 | G3m | 3rd component symmetry directional WHIM index / weighted by mass |

2296 | E1m | 1st component accessibility directional WHIM index / weighted by mass |

2297 | E2m | 2nd component accessibility directional WHIM index / weighted by mass |

2298 | E3m | 3rd component accessibility directional WHIM index / weighted by mass |

2299 | L1v | 1st component size directional WHIM index / weighted by van der Waals volume |

2300 | L2v | 2nd component size directional WHIM index / weighted by van der Waals volume |

2301 | L3v | 3rd component size directional WHIM index / weighted by van der Waals volume |

2302 | P1v | 1st component shape directional WHIM index / weighted by van der Waals volume |

2303 | P2v | 2nd component shape directional WHIM index / weighted by van der Waals volume |

2304 | G1v | 1st component symmetry directional WHIM index / weighted by van der Waals volume |

2305 | G2v | 2nd component symmetry directional WHIM index / weighted by van der Waals volume |

2306 | G3v | 3rd component symmetry directional WHIM index / weighted by van der Waals volume |

2307 | E1v | 1st component accessibility directional WHIM index / weighted by van der Waals volume |

2308 | E2v | 2nd component accessibility directional WHIM index / weighted by van der Waals volume |

2309 | E3v | 3rd component accessibility directional WHIM index / weighted by van der Waals volume |

2310 | L1e | 1st component size directional WHIM index / weighted by Sanderson electronegativity |

2311 | L2e | 2nd component size directional WHIM index / weighted by Sanderson electronegativity |

2312 | L3e | 3rd component size directional WHIM index / weighted by Sanderson electronegativity |

2313 | P1e | 1st component shape directional WHIM index / weighted by Sanderson electronegativity |

2314 | P2e | 2nd component shape directional WHIM index / weighted by Sanderson electronegativity |

2315 | G1e | 1st component symmetry directional WHIM index / weighted by Sanderson electronegativity |

2316 | G2e | 2nd component symmetry directional WHIM index / weighted by Sanderson electronegativity |

2317 | G3e | 3rd component symmetry directional WHIM index / weighted by Sanderson electronegativity |

2318 | E1e | 1st component accessibility directional WHIM index / weighted by Sanderson electronegativity |

2319 | E2e | 2nd component accessibility directional WHIM index / weighted by Sanderson electronegativity |

2320 | E3e | 3rd component accessibility directional WHIM index / weighted by Sanderson electronegativity |

2321 | L1p | 1st component size directional WHIM index / weighted by polarizability |

2322 | L2p | 2nd component size directional WHIM index / weighted by polarizability |

2323 | L3p | 3rd component size directional WHIM index / weighted by polarizability |

2324 | P1p | 1st component shape directional WHIM index / weighted by polarizability |

2325 | P2p | 2nd component shape directional WHIM index / weighted by polarizability |

2326 | G1p | 1st component symmetry directional WHIM index / weighted by polarizability |

2327 | G2p | 2nd component symmetry directional WHIM index / weighted by polarizability |

2328 | G3p | 3rd component symmetry directional WHIM index / weighted by polarizability |

2329 | E1p | 1st component accessibility directional WHIM index / weighted by polarizability |

2330 | E2p | 2nd component accessibility directional WHIM index / weighted by polarizability |

2331 | E3p | 3rd component accessibility directional WHIM index / weighted by polarizability |

2332 | L1i | 1st component size directional WHIM index / weighted by ionization potential |

2333 | L2i | 2nd component size directional WHIM index / weighted by ionization potential |

2334 | L3i | 3rd component size directional WHIM index / weighted by ionization potential |

2335 | P1i | 1st component shape directional WHIM index / weighted by ionization potential |

2336 | P2i | 2nd component shape directional WHIM index / weighted by ionization potential |

2337 | G1i | 1st component symmetry directional WHIM index / weighted by ionization potential |

2338 | G2i | 2nd component symmetry directional WHIM index / weighted by ionization potential |

2339 | G3i | 3rd component symmetry directional WHIM index / weighted by ionization potential |

2340 | E1i | 1st component accessibility directional WHIM index / weighted by ionization potential |

2341 | E2i | 2nd component accessibility directional WHIM index / weighted by ionization potential |

2342 | E3i | 3rd component accessibility directional WHIM index / weighted by ionization potential |

2343 | L1s | 1st component size directional WHIM index / weighted by I-state |

2344 | L2s | 2nd component size directional WHIM index / weighted by I-state |

2345 | L3s | 3rd component size directional WHIM index / weighted by I-state |

2346 | P1s | 1st component shape directional WHIM index / weighted by I-state |

2347 | P2s | 2nd component shape directional WHIM index / weighted by I-state |

2348 | G1s | 1st component symmetry directional WHIM index / weighted by I-state |

2349 | G2s | 2nd component symmetry directional WHIM index / weighted by I-state |

2350 | G3s | 3rd component symmetry directional WHIM index / weighted by I-state |

2351 | E1s | 1st component accessibility directional WHIM index / weighted by I-state |

2352 | E2s | 2nd component accessibility directional WHIM index / weighted by I-state |

2353 | E3s | 3rd component accessibility directional WHIM index / weighted by I-state |

2354 | Tu | T total size index / unweighted |

2355 | Tm | T total size index / weighted by mass |

2356 | Tv | T total size index / weighted by van der Waals volume |

2357 | Te | T total size index / weighted by Sanderson electronegativity |

2358 | Tp | T total size index / weighted by polarizability |

2359 | Ti | T total size index / weighted by ionization potential |

2360 | Ts | T total size index / weighted by I-state |

2361 | Au | A total size index / unweighted |

2362 | Am | A total size index / weighted by mass |

2363 | Av | A total size index / weighted by van der Waals volume |

2364 | Ae | A total size index / weighted by Sanderson electronegativity |

2365 | Ap | A total size index / weighted by polarizability |

2366 | Ai | A total size index / weighted by ionization potential |

2367 | As | A total size index / weighted by I-state |

2368 | Gu | total symmetry index / unweighted |

2369 | Gm | total symmetry index / weighted by mass |

2370 | Ku | K global shape index / unweighted |

2371 | Km | K global shape index / weighted by mass |

2372 | Kv | K global shape index / weighted by van der Waals volume |

2373 | Ke | K global shape index / weighted by Sanderson electronegativity |

2374 | Kp | K global shape index / weighted by polarizability |

2375 | Ki | K global shape index / weighted by ionization potential |

2376 | Ks | K global shape index / weighted by I-state |

2377 | Du | D total accessibility index / unweighted |

2378 | Dm | D total accessibility index / weighted by mass |

2379 | Dv | D total accessibility index / weighted by van der Waals volume |

2380 | De | D total accessibility index / weighted by Sanderson electronegativity |

2381 | Dp | D total accessibility index / weighted by polarizability |

2382 | Di | D total accessibility index / weighted by ionization potential |

2383 | Ds | D total accessibility index / weighted by I-state |

2384 | Vu | V total size index / unweighted |

2385 | Vm | V total size index / weighted by mass |

2386 | Vv | V total size index / weighted by van der Waals volume |

2387 | Ve | V total size index / weighted by Sanderson electronegativity |

2388 | Vp | V total size index / weighted by polarizability |

2389 | Vi | V total size index / weighted by ionization potential |

2390 | Vs | V total size index / weighted by I-state |

## GETAWAY descriptors

No. | Name | Description |
---|---|---|

2391 | ITH | total information content on the leverage equality |

2392 | ISH | standardized information content on the leverage equality |

2393 | HIC | mean information content on the leverage magnitude |

2394 | HGM | geometric mean on the leverage magnitude |

2395 | H0u | H autocorrelation of lag 0 / unweighted |

2396 | H1u | H autocorrelation of lag 1 / unweighted |

2397 | H2u | H autocorrelation of lag 2 / unweighted |

2398 | H3u | H autocorrelation of lag 3 / unweighted |

2399 | H4u | H autocorrelation of lag 4 / unweighted |

2400 | H5u | H autocorrelation of lag 5 / unweighted |

2401 | H6u | H autocorrelation of lag 6 / unweighted |

2402 | H7u | H autocorrelation of lag 7 / unweighted |

2403 | H8u | H autocorrelation of lag 8 / unweighted |

2404 | HTu | H total index / unweighted |

2405 | HATS0u | leverage-weighted autocorrelation of lag 0 / unweighted |

2406 | HATS1u | leverage-weighted autocorrelation of lag 1 / unweighted |

2407 | HATS2u | leverage-weighted autocorrelation of lag 2 / unweighted |

2408 | HATS3u | leverage-weighted autocorrelation of lag 3 / unweighted |

2409 | HATS4u | leverage-weighted autocorrelation of lag 4 / unweighted |

2410 | HATS5u | leverage-weighted autocorrelation of lag 5 / unweighted |

2411 | HATS6u | leverage-weighted autocorrelation of lag 6 / unweighted |

2412 | HATS7u | leverage-weighted autocorrelation of lag 7 / unweighted |

2413 | HATS8u | leverage-weighted autocorrelation of lag 8 / unweighted |

2414 | HATSu | leverage-weighted total index / unweighted |

2415 | H0m | H autocorrelation of lag 0 / weighted by mass |

2416 | H1m | H autocorrelation of lag 1 / weighted by mass |

2417 | H2m | H autocorrelation of lag 2 / weighted by mass |

2418 | H3m | H autocorrelation of lag 3 / weighted by mass |

2419 | H4m | H autocorrelation of lag 4 / weighted by mass |

2420 | H5m | H autocorrelation of lag 5 / weighted by mass |

2421 | H6m | H autocorrelation of lag 6 / weighted by mass |

2422 | H7m | H autocorrelation of lag 7 / weighted by mass |

2423 | H8m | H autocorrelation of lag 8 / weighted by mass |

2424 | HTm | H total index / weighted by mass |

2425 | HATS0m | leverage-weighted autocorrelation of lag 0 / weighted by mass |

2426 | HATS1m | leverage-weighted autocorrelation of lag 1 / weighted by mass |

2427 | HATS2m | leverage-weighted autocorrelation of lag 2 / weighted by mass |

2428 | HATS3m | leverage-weighted autocorrelation of lag 3 / weighted by mass |

2429 | HATS4m | leverage-weighted autocorrelation of lag 4 / weighted by mass |

2430 | HATS5m | leverage-weighted autocorrelation of lag 5 / weighted by mass |

2431 | HATS6m | leverage-weighted autocorrelation of lag 6 / weighted by mass |

2432 | HATS7m | leverage-weighted autocorrelation of lag 7 / weighted by mass |

2433 | HATS8m | leverage-weighted autocorrelation of lag 8 / weighted by mass |

2434 | HATSm | leverage-weighted total index / weighted by mass |

2435 | H0v | H autocorrelation of lag 0 / weighted by van der Waals volume |

2436 | H1v | H autocorrelation of lag 1 / weighted by van der Waals volume |

2437 | H2v | H autocorrelation of lag 2 / weighted by van der Waals volume |

2438 | H3v | H autocorrelation of lag 3 / weighted by van der Waals volume |

2439 | H4v | H autocorrelation of lag 4 / weighted by van der Waals volume |

2440 | H5v | H autocorrelation of lag 5 / weighted by van der Waals volume |

2441 | H6v | H autocorrelation of lag 6 / weighted by van der Waals volume |

2442 | H7v | H autocorrelation of lag 7 / weighted by van der Waals volume |

2443 | H8v | H autocorrelation of lag 8 / weighted by van der Waals volume |

2444 | HTv | H total index / weighted by van der Waals volume |

2445 | HATS0v | leverage-weighted autocorrelation of lag 0 / weighted by van der Waals volume |

2446 | HATS1v | leverage-weighted autocorrelation of lag 1 / weighted by van der Waals volume |

2447 | HATS2v | leverage-weighted autocorrelation of lag 2 / weighted by van der Waals volume |

2448 | HATS3v | leverage-weighted autocorrelation of lag 3 / weighted by van der Waals volume |

2449 | HATS4v | leverage-weighted autocorrelation of lag 4 / weighted by van der Waals volume |

2450 | HATS5v | leverage-weighted autocorrelation of lag 5 / weighted by van der Waals volume |

2451 | HATS6v | leverage-weighted autocorrelation of lag 6 / weighted by van der Waals volume |

2452 | HATS7v | leverage-weighted autocorrelation of lag 7 / weighted by van der Waals volume |

2453 | HATS8v | leverage-weighted autocorrelation of lag 8 / weighted by van der Waals volume |

2454 | HATSv | leverage-weighted total index / weighted by van der Waals volume |

2455 | H0e | H autocorrelation of lag 0 / weighted by Sanderson electronegativity |

2456 | H1e | H autocorrelation of lag 1 / weighted by Sanderson electronegativity |

2457 | H2e | H autocorrelation of lag 2 / weighted by Sanderson electronegativity |

2458 | H3e | H autocorrelation of lag 3 / weighted by Sanderson electronegativity |

2459 | H4e | H autocorrelation of lag 4 / weighted by Sanderson electronegativity |

2460 | H5e | H autocorrelation of lag 5 / weighted by Sanderson electronegativity |

2461 | H6e | H autocorrelation of lag 6 / weighted by Sanderson electronegativity |

2462 | H7e | H autocorrelation of lag 7 / weighted by Sanderson electronegativity |

2463 | H8e | H autocorrelation of lag 8 / weighted by Sanderson electronegativity |

2464 | HTe | H total index / weighted by Sanderson electronegativity |

2465 | HATS0e | leverage-weighted autocorrelation of lag 0 / weighted by Sanderson electronegativity |

2466 | HATS1e | leverage-weighted autocorrelation of lag 1 / weighted by Sanderson electronegativity |

2467 | HATS2e | leverage-weighted autocorrelation of lag 2 / weighted by Sanderson electronegativity |

2468 | HATS3e | leverage-weighted autocorrelation of lag 3 / weighted by Sanderson electronegativity |

2469 | HATS4e | leverage-weighted autocorrelation of lag 4 / weighted by Sanderson electronegativity |

2470 | HATS5e | leverage-weighted autocorrelation of lag 5 / weighted by Sanderson electronegativity |

2471 | HATS6e | leverage-weighted autocorrelation of lag 6 / weighted by Sanderson electronegativity |

2472 | HATS7e | leverage-weighted autocorrelation of lag 7 / weighted by Sanderson electronegativity |

2473 | HATS8e | leverage-weighted autocorrelation of lag 8 / weighted by Sanderson electronegativity |

2474 | HATSe | leverage-weighted total index / weighted by Sanderson electronegativity |

2475 | H0p | H autocorrelation of lag 0 / weighted by polarizability |

2476 | H1p | H autocorrelation of lag 1 / weighted by polarizability |

2477 | H2p | H autocorrelation of lag 2 / weighted by polarizability |

2478 | H3p | H autocorrelation of lag 3 / weighted by polarizability |

2479 | H4p | H autocorrelation of lag 4 / weighted by polarizability |

2480 | H5p | H autocorrelation of lag 5 / weighted by polarizability |

2481 | H6p | H autocorrelation of lag 6 / weighted by polarizability |

2482 | H7p | H autocorrelation of lag 7 / weighted by polarizability |

2483 | H8p | H autocorrelation of lag 8 / weighted by polarizability |

2484 | HTp | H total index / weighted by polarizability |

2485 | HATS0p | leverage-weighted autocorrelation of lag 0 / weighted by polarizability |

2486 | HATS1p | leverage-weighted autocorrelation of lag 1 / weighted by polarizability |

2487 | HATS2p | leverage-weighted autocorrelation of lag 2 / weighted by polarizability |

2488 | HATS3p | leverage-weighted autocorrelation of lag 3 / weighted by polarizability |

2489 | HATS4p | leverage-weighted autocorrelation of lag 4 / weighted by polarizability |

2490 | HATS5p | leverage-weighted autocorrelation of lag 5 / weighted by polarizability |

2491 | HATS6p | leverage-weighted autocorrelation of lag 6 / weighted by polarizability |

2492 | HATS7p | leverage-weighted autocorrelation of lag 7 / weighted by polarizability |

2493 | HATS8p | leverage-weighted autocorrelation of lag 8 / weighted by polarizability |

2494 | HATSp | leverage-weighted total index / weighted by polarizability |

2495 | H0i | H autocorrelation of lag 0 / weighted by ionization potential |

2496 | H1i | H autocorrelation of lag 1 / weighted by ionization potential |

2497 | H2i | H autocorrelation of lag 2 / weighted by ionization potential |

2498 | H3i | H autocorrelation of lag 3 / weighted by ionization potential |

2499 | H4i | H autocorrelation of lag 4 / weighted by ionization potential |

2500 | H5i | H autocorrelation of lag 5 / weighted by ionization potential |

2501 | H6i | H autocorrelation of lag 6 / weighted by ionization potential |

2502 | H7i | H autocorrelation of lag 7 / weighted by ionization potential |

2503 | H8i | H autocorrelation of lag 8 / weighted by ionization potential |

2504 | HTi | H total index / weighted by ionization potential |

2505 | HATS0i | leverage-weighted autocorrelation of lag 0 / weighted by ionization potential |

2506 | HATS1i | leverage-weighted autocorrelation of lag 1 / weighted by ionization potential |

2507 | HATS2i | leverage-weighted autocorrelation of lag 2 / weighted by ionization potential |

2508 | HATS3i | leverage-weighted autocorrelation of lag 3 / weighted by ionization potential |

2509 | HATS4i | leverage-weighted autocorrelation of lag 4 / weighted by ionization potential |

2510 | HATS5i | leverage-weighted autocorrelation of lag 5 / weighted by ionization potential |

2511 | HATS6i | leverage-weighted autocorrelation of lag 6 / weighted by ionization potential |

2512 | HATS7i | leverage-weighted autocorrelation of lag 7 / weighted by ionization potential |

2513 | HATS8i | leverage-weighted autocorrelation of lag 8 / weighted by ionization potential |

2514 | HATSi | leverage-weighted total index / weighted by ionization potential |

2515 | H0s | H autocorrelation of lag 0 / weighted by I-state |

2516 | H1s | H autocorrelation of lag 1 / weighted by I-state |

2517 | H2s | H autocorrelation of lag 2 / weighted by I-state |

2518 | H3s | H autocorrelation of lag 3 / weighted by I-state |

2519 | H4s | H autocorrelation of lag 4 / weighted by I-state |

2520 | H5s | H autocorrelation of lag 5 / weighted by I-state |

2521 | H6s | H autocorrelation of lag 6 / weighted by I-state |

2522 | H7s | H autocorrelation of lag 7 / weighted by I-state |

2523 | H8s | H autocorrelation of lag 8 / weighted by I-state |

2524 | HTs | H total index / weighted by I-state |

2525 | HATS0s | leverage-weighted autocorrelation of lag 0 / weighted by I-state |

2526 | HATS1s | leverage-weighted autocorrelation of lag 1 / weighted by I-state |

2527 | HATS2s | leverage-weighted autocorrelation of lag 2 / weighted by I-state |

2528 | HATS3s | leverage-weighted autocorrelation of lag 3 / weighted by I-state |

2529 | HATS4s | leverage-weighted autocorrelation of lag 4 / weighted by I-state |

2530 | HATS5s | leverage-weighted autocorrelation of lag 5 / weighted by I-state |

2531 | HATS6s | leverage-weighted autocorrelation of lag 6 / weighted by I-state |

2532 | HATS7s | leverage-weighted autocorrelation of lag 7 / weighted by I-state |

2533 | HATS8s | leverage-weighted autocorrelation of lag 8 / weighted by I-state |

2534 | HATSs | leverage-weighted total index / weighted by I-state |

2535 | RCON | Randic-type R matrix connectivity |

2536 | RARS | R matrix average row sum |

2537 | REIG | first eigenvalue of the R matrix |

2538 | R1u | R autocorrelation of lag 1 / unweighted |

2539 | R2u | R autocorrelation of lag 2 / unweighted |

2540 | R3u | R autocorrelation of lag 3 / unweighted |

2541 | R4u | R autocorrelation of lag 4 / unweighted |

2542 | R5u | R autocorrelation of lag 5 / unweighted |

2543 | R6u | R autocorrelation of lag 6 / unweighted |

2544 | R7u | R autocorrelation of lag 7 / unweighted |

2545 | R8u | R autocorrelation of lag 8 / unweighted |

2546 | RTu | R total index / unweighted |

2547 | R1u+ | R maximal autocorrelation of lag 1 / unweighted |

2548 | R2u+ | R maximal autocorrelation of lag 2 / unweighted |

2549 | R3u+ | R maximal autocorrelation of lag 3 / unweighted |

2550 | R4u+ | R maximal autocorrelation of lag 4 / unweighted |

2551 | R5u+ | R maximal autocorrelation of lag 5 / unweighted |

2552 | R6u+ | R maximal autocorrelation of lag 6 / unweighted |

2553 | R7u+ | R maximal autocorrelation of lag 7 / unweighted |

2554 | R8u+ | R maximal autocorrelation of lag 8 / unweighted |

2555 | RTu+ | R maximal index / unweighted |

2556 | R1m | R autocorrelation of lag 1 / weighted by mass |

2557 | R2m | R autocorrelation of lag 2 / weighted by mass |

2558 | R3m | R autocorrelation of lag 3 / weighted by mass |

2559 | R4m | R autocorrelation of lag 4 / weighted by mass |

2560 | R5m | R autocorrelation of lag 5 / weighted by mass |

2561 | R6m | R autocorrelation of lag 6 / weighted by mass |

2562 | R7m | R autocorrelation of lag 7 / weighted by mass |

2563 | R8m | R autocorrelation of lag 8 / weighted by mass |

2564 | RTm | R total index / weighted by mass |

2565 | R1m+ | R maximal autocorrelation of lag 1 / weighted by mass |

2566 | R2m+ | R maximal autocorrelation of lag 2 / weighted by mass |

2567 | R3m+ | R maximal autocorrelation of lag 3 / weighted by mass |

2568 | R4m+ | R maximal autocorrelation of lag 4 / weighted by mass |

2569 | R5m+ | R maximal autocorrelation of lag 5 / weighted by mass |

2570 | R6m+ | R maximal autocorrelation of lag 6 / weighted by mass |

2571 | R7m+ | R maximal autocorrelation of lag 7 / weighted by mass |

2572 | R8m+ | R maximal autocorrelation of lag 8 / weighted by mass |

2573 | RTm+ | R maximal index / weighted by mass |

2574 | R1v | R autocorrelation of lag 1 / weighted by van der Waals volume |

2575 | R2v | R autocorrelation of lag 2 / weighted by van der Waals volume |

2576 | R3v | R autocorrelation of lag 3 / weighted by van der Waals volume |

2577 | R4v | R autocorrelation of lag 4 / weighted by van der Waals volume |

2578 | R5v | R autocorrelation of lag 5 / weighted by van der Waals volume |

2579 | R6v | R autocorrelation of lag 6 / weighted by van der Waals volume |

2580 | R7v | R autocorrelation of lag 7 / weighted by van der Waals volume |

2581 | R8v | R autocorrelation of lag 8 / weighted by van der Waals volume |

2582 | RTv | R total index / weighted by van der Waals volume |

2583 | R1v+ | R maximal autocorrelation of lag 1 / weighted by van der Waals volume |

2584 | R2v+ | R maximal autocorrelation of lag 2 / weighted by van der Waals volume |

2585 | R3v+ | R maximal autocorrelation of lag 3 / weighted by van der Waals volume |

2586 | R4v+ | R maximal autocorrelation of lag 4 / weighted by van der Waals volume |

2587 | R5v+ | R maximal autocorrelation of lag 5 / weighted by van der Waals volume |

2588 | R6v+ | R maximal autocorrelation of lag 6 / weighted by van der Waals volume |

2589 | R7v+ | R maximal autocorrelation of lag 7 / weighted by van der Waals volume |

2590 | R8v+ | R maximal autocorrelation of lag 8 / weighted by van der Waals volume |

2591 | RTv+ | R maximal index / weighted by van der Waals volume |

2592 | R1e | R autocorrelation of lag 1 / weighted by Sanderson electronegativity |

2593 | R2e | R autocorrelation of lag 2 / weighted by Sanderson electronegativity |

2594 | R3e | R autocorrelation of lag 3 / weighted by Sanderson electronegativity |

2595 | R4e | R autocorrelation of lag 4 / weighted by Sanderson electronegativity |

2596 | R5e | R autocorrelation of lag 5 / weighted by Sanderson electronegativity |

2597 | R6e | R autocorrelation of lag 6 / weighted by Sanderson electronegativity |

2598 | R7e | R autocorrelation of lag 7 / weighted by Sanderson electronegativity |

2599 | R8e | R autocorrelation of lag 8 / weighted by Sanderson electronegativity |

2600 | RTe | R total index / weighted by Sanderson electronegativity |

2601 | R1e+ | R maximal autocorrelation of lag 1 / weighted by Sanderson electronegativity |

2602 | R2e+ | R maximal autocorrelation of lag 2 / weighted by Sanderson electronegativity |

2603 | R3e+ | R maximal autocorrelation of lag 3 / weighted by Sanderson electronegativity |

2604 | R4e+ | R maximal autocorrelation of lag 4 / weighted by Sanderson electronegativity |

2605 | R5e+ | R maximal autocorrelation of lag 5 / weighted by Sanderson electronegativity |

2606 | R6e+ | R maximal autocorrelation of lag 6 / weighted by Sanderson electronegativity |

2607 | R7e+ | R maximal autocorrelation of lag 7 / weighted by Sanderson electronegativity |

2608 | R8e+ | R maximal autocorrelation of lag 8 / weighted by Sanderson electronegativity |

2609 | RTe+ | R maximal index / weighted by Sanderson electronegativity |

2610 | R1p | R autocorrelation of lag 1 / weighted by polarizability |

2611 | R2p | R autocorrelation of lag 2 / weighted by polarizability |

2612 | R3p | R autocorrelation of lag 3 / weighted by polarizability |

2613 | R4p | R autocorrelation of lag 4 / weighted by polarizability |

2614 | R5p | R autocorrelation of lag 5 / weighted by polarizability |

2615 | R6p | R autocorrelation of lag 6 / weighted by polarizability |

2616 | R7p | R autocorrelation of lag 7 / weighted by polarizability |

2617 | R8p | R autocorrelation of lag 8 / weighted by polarizability |

2618 | RTp | R total index / weighted by polarizability |

2619 | R1p+ | R maximal autocorrelation of lag 1 / weighted by polarizability |

2620 | R2p+ | R maximal autocorrelation of lag 2 / weighted by polarizability |

2621 | R3p+ | R maximal autocorrelation of lag 3 / weighted by polarizability |

2622 | R4p+ | R maximal autocorrelation of lag 4 / weighted by polarizability |

2623 | R5p+ | R maximal autocorrelation of lag 5 / weighted by polarizability |

2624 | R6p+ | R maximal autocorrelation of lag 6 / weighted by polarizability |

2625 | R7p+ | R maximal autocorrelation of lag 7 / weighted by polarizability |

2626 | R8p+ | R maximal autocorrelation of lag 8 / weighted by polarizability |

2627 | RTp+ | R maximal index / weighted by polarizability |

2628 | R1i | R autocorrelation of lag 1 / weighted by ionization potential |

2629 | R2i | R autocorrelation of lag 2 / weighted by ionization potential |

2630 | R3i | R autocorrelation of lag 3 / weighted by ionization potential |

2631 | R4i | R autocorrelation of lag 4 / weighted by ionization potential |

2632 | R5i | R autocorrelation of lag 5 / weighted by ionization potential |

2633 | R6i | R autocorrelation of lag 6 / weighted by ionization potential |

2634 | R7i | R autocorrelation of lag 7 / weighted by ionization potential |

2635 | R8i | R autocorrelation of lag 8 / weighted by ionization potential |

2636 | RTi | R total index / weighted by ionization potential |

2637 | R1i+ | R maximal autocorrelation of lag 1 / weighted by ionization potential |

2638 | R2i+ | R maximal autocorrelation of lag 2 / weighted by ionization potential |

2639 | R3i+ | R maximal autocorrelation of lag 3 / weighted by ionization potential |

2640 | R4i+ | R maximal autocorrelation of lag 4 / weighted by ionization potential |

2641 | R5i+ | R maximal autocorrelation of lag 5 / weighted by ionization potential |

2642 | R6i+ | R maximal autocorrelation of lag 6 / weighted by ionization potential |

2643 | R7i+ | R maximal autocorrelation of lag 7 / weighted by ionization potential |

2644 | R8i+ | R maximal autocorrelation of lag 8 / weighted by ionization potential |

2645 | RTi+ | R maximal index / weighted by ionization potential |

2646 | R1s | R autocorrelation of lag 1 / weighted by I-state |

2647 | R2s | R autocorrelation of lag 2 / weighted by I-state |

2648 | R3s | R autocorrelation of lag 3 / weighted by I-state |

2649 | R4s | R autocorrelation of lag 4 / weighted by I-state |

2650 | R5s | R autocorrelation of lag 5 / weighted by I-state |

2651 | R6s | R autocorrelation of lag 6 / weighted by I-state |

2652 | R7s | R autocorrelation of lag 7 / weighted by I-state |

2653 | R8s | R autocorrelation of lag 8 / weighted by I-state |

2654 | RTs | R total index / weighted by I-state |

2655 | R1s+ | R maximal autocorrelation of lag 1 / weighted by I-state |

2656 | R2s+ | R maximal autocorrelation of lag 2 / weighted by I-state |

2657 | R3s+ | R maximal autocorrelation of lag 3 / weighted by I-state |

2658 | R4s+ | R maximal autocorrelation of lag 4 / weighted by I-state |

2659 | R5s+ | R maximal autocorrelation of lag 5 / weighted by I-state |

2660 | R6s+ | R maximal autocorrelation of lag 6 / weighted by I-state |

2661 | R7s+ | R maximal autocorrelation of lag 7 / weighted by I-state |

2662 | R8s+ | R maximal autocorrelation of lag 8 / weighted by I-state |

2663 | RTs+ | R maximal index / weighted by I-state |

## Randic molecular profiles

No. | Name | Description |
---|---|---|

2664 | DP01 | molecular profile no. 1 |

2665 | DP02 | molecular profile no. 2 |

2666 | DP03 | molecular profile no. 3 |

2667 | DP04 | molecular profile no. 4 |

2668 | DP05 | molecular profile no. 5 |

2669 | DP06 | molecular profile no. 6 |

2670 | DP07 | molecular profile no. 7 |

2671 | DP08 | molecular profile no. 8 |

2672 | DP09 | molecular profile no. 9 |

2673 | DP10 | molecular profile no. 10 |

2674 | DP11 | molecular profile no. 11 |

2675 | DP12 | molecular profile no. 12 |

2676 | DP13 | molecular profile no. 13 |

2677 | DP14 | molecular profile no. 14 |

2678 | DP15 | molecular profile no. 15 |

2679 | DP16 | molecular profile no. 16 |

2680 | DP17 | molecular profile no. 17 |

2681 | DP18 | molecular profile no. 18 |

2682 | DP19 | molecular profile no. 19 |

2683 | DP20 | molecular profile no. 20 |

2684 | SP01 | shape profile no. 1 |

2685 | SP02 | shape profile no. 2 |

2686 | SP03 | shape profile no. 3 |

2687 | SP04 | shape profile no. 4 |

2688 | SP05 | shape profile no. 5 |

2689 | SP06 | shape profile no. 6 |

2690 | SP07 | shape profile no. 7 |

2691 | SP08 | shape profile no. 8 |

2692 | SP09 | shape profile no. 9 |

2693 | SP10 | shape profile no. 10 |

2694 | SP11 | shape profile no. 11 |

2695 | SP12 | shape profile no. 12 |

2696 | SP13 | shape profile no. 13 |

2697 | SP14 | shape profile no. 14 |

2698 | SP15 | shape profile no. 15 |

2699 | SP16 | shape profile no. 16 |

2700 | SP17 | shape profile no. 17 |

2701 | SP18 | shape profile no. 18 |

2702 | SP19 | shape profile no. 19 |

2703 | SP20 | shape profile no. 20 |

2704 | SHP2 | average shape profile index of order 2 |

## Functional group counts

No. | Name | Description |
---|---|---|

2705 | nCp | number of terminal primary C(sp3) |

2706 | nCs | number of total secondary C(sp3) |

2707 | nCt | number of total tertiary C(sp3) |

2708 | nCq | number of total quaternary C(sp3) |

2709 | nCrs | number of ring secondary C(sp3) |

2710 | nCrt | number of ring tertiary C(sp3) |

2711 | nCrq | number of ring quaternary C(sp3) |

2712 | nCar | number of aromatic C(sp2) |

2713 | nCbH | number of unsubstituted benzene C(sp2) |

2714 | nCb- | number of substituted benzene C(sp2) |

2715 | nCconj | number of non-aromatic conjugated C(sp2) |

2716 | nR=Cp | number of terminal primary C(sp2) |

2717 | nR=Cs | number of aliphatic secondary C(sp2) |

2718 | nR=Ct | number of aliphatic tertiary C(sp2) |

2719 | n=C= | number of allenes groups |

2720 | nR#CH/X | number of terminal C(sp) |

2721 | nR#C- | number of non-terminal C(sp) |

2722 | nROCN | number of cyanates (aliphatic) |

2723 | nArOCN | number of cyanates (aromatic) |

2724 | nRNCO | number of isocyanates (aliphatic) |

2725 | nArNCO | number of isocyanates (aromatic) |

2726 | nRSCN | number of thiocyanates (aliphatic) |

2727 | nArSCN | number of thiocyanates (aromatic) |

2728 | nRNCS | number of isothiocyanates (aliphatic) |

2729 | nArNCS | number of isothiocyanates (aromatic) |

2730 | nRCOOH | number of carboxylic acids (aliphatic) |

2731 | nArCOOH | number of carboxylic acids (aromatic) |

2732 | nRCOOR | number of esters (aliphatic) |

2733 | nArCOOR | number of esters (aromatic) |

2734 | nRCONH2 | number of primary amides (aliphatic) |

2735 | nArCONH2 | number of primary amides (aromatic) |

2736 | nRCONHR | number of secondary amides (aliphatic) |

2737 | nArCONHR | number of secondary amides (aromatic) |

2738 | nRCONR2 | number of tertiary amides (aliphatic) |

2739 | nArCONR2 | number of tertiary amides (aromatic) |

2740 | nROCON | number of (thio-) carbamates (aliphatic) |

2741 | nArOCON | number of (thio-) carbamates (aromatic) |

2742 | nRCOX | number of acyl halogenides (aliphatic) |

2743 | nArCOX | number of acyl halogenides (aromatic) |

2744 | nRCSOH | number of thioacids (aliphatic) |

2745 | nArCSOH | number of thioacids (aromatic) |

2746 | nRCSSH | number of dithioacids (aliphatic) |

2747 | nArCSSH | number of dithioacids (aromatic) |

2748 | nRCOSR | number of thioesters (aliphatic) |

2749 | nArCOSR | number of thioesters (aromatic) |

2750 | nRCSSR | number of dithioesters (aliphatic) |

2751 | nArCSSR | number of dithioesters (aromatic) |

2752 | nRCHO | number of aldehydes (aliphatic) |

2753 | nArCHO | number of aldehydes (aromatic) |

2754 | nRCO | number of ketones (aliphatic) |

2755 | nArCO | number of ketones (aromatic) |

2756 | nCONN | number of urea (-thio) derivatives |

2757 | nC=O(O)2 | number of carbonate (-thio) derivatives |

2758 | nN=C-N< | number of amidine derivatives |

2759 | nC(=N)N2 | number of guanidine derivatives |

2760 | nRC=N | number of imines (aliphatic) |

2761 | nArC=N | number of imines (aromatic) |

2762 | nRCNO | number of oximes (aliphatic) |

2763 | nArCNO | number of oximes (aromatic) |

2764 | nRNH2 | number of primary amines (aliphatic) |

2765 | nArNH2 | number of primary amines (aromatic) |

2766 | nRNHR | number of secondary amines (aliphatic) |

2767 | nArNHR | number of secondary amines (aromatic) |

2768 | nRNR2 | number of tertiary amines (aliphatic) |

2769 | nArNR2 | number of tertiary amines (aromatic) |

2770 | nN-N | number of N hydrazines |

2771 | nN=N | number of N azo-derivatives |

2772 | nRCN | number of nitriles (aliphatic) |

2773 | nArCN | number of nitriles (aromatic) |

2774 | nN+ | number of positively charged N |

2775 | nNq | number of quaternary N |

2776 | nRNHO | number of hydroxylamines (aliphatic) |

2777 | nArNHO | number of hydroxylamines (aromatic) |

2778 | nRNNOx | number of N-nitroso groups (aliphatic) |

2779 | nArNNOx | number of N-nitroso groups (aromatic) |

2780 | nRNO | number of nitroso groups (aliphatic) |

2781 | nArNO | number of nitroso groups (aromatic) |

2782 | nRNO2 | number of nitro groups (aliphatic) |

2783 | nArNO2 | number of nitro groups (aromatic) |

2784 | nN(CO)2 | number of imides (-thio) |

2785 | nC=N-N< | number of hydrazones |

2786 | nROH | number of hydroxyl groups |

2787 | nArOH | number of aromatic hydroxyls |

2788 | nOHp | number of primary alcohols |

2789 | nOHs | number of secondary alcohols |

2790 | nOHt | number of tertiary alcohols |

2791 | nROR | number of ethers (aliphatic) |

2792 | nArOR | number of ethers (aromatic) |

2793 | nROX | number of hypohalogenides (aliphatic) |

2794 | nArOX | number of hypohalogenides (aromatic) |

2795 | nO(C=O)2 | number of anhydrides (-thio) |

2796 | nH2O | number of water molecules |

2797 | nSH | number of thiols |

2798 | nC=S | number of thioketones |

2799 | nRSR | number of sulfides |

2800 | nRSSR | number of disulfides |

2801 | nSO | number of sulfoxides |

2802 | nS(=O)2 | number of sulfones |

2803 | nSOH | number of sulfenic (thio-) acids |

2804 | nSOOH | number of sulfinic (thio-/dithio-) acids |

2805 | nSO2OH | number of sulfonic (thio-/dithio-) acids |

2806 | nSO3OH | number of sulfuric (thio-/dithio-) acids |

2807 | nSO2 | number of sulfites (thio-/dithio-) |

2808 | nSO3 | number of sulfonates (thio-/dithio-) |

2809 | nSO4 | number of sulfates (thio-/dithio-) |

2810 | nSO2N | number of sulfonamides (thio-/dithio-) |

2811 | nPO3 | number of phosphites/thiophosphites |

2812 | nPO4 | number of phosphates/thiophosphates |

2813 | nPR3 | number of phosphanes |

2814 | nP(=O)O2R | number of phosphonates (thio-) |

2815 | nP(=O)R3/nPR5 | number of phosphoranes (thio-) |

2816 | nCH2RX | number of CH2RX |

2817 | nCHR2X | number of CHR2X |

2818 | nCR3X | number of CR3X |

2819 | nR=CHX | number of R=CHX |

2820 | nR=CRX | number of R=CRX |

2821 | nR#CX | number of R#CX |

2822 | nCHRX2 | number of CHRX2 |

2823 | nCR2X2 | number of CR2X2 |

2824 | nR=CX2 | number of R=CX2 |

2825 | nCRX3 | number of CRX3 |

2826 | nArX | number of X on aromatic ring |

2827 | nCXr | number of X on ring C(sp3) |

2828 | nCXr= | number of X on ring C(sp2) |

2829 | nCconjX | number of X on exo-conjugated C |

2830 | nAziridines | number of Aziridines |

2831 | nOxiranes | number of Oxiranes |

2832 | nThiranes | number of Thiranes |

2833 | nAzetidines | number of Azetidines |

2834 | nOxetanes | number of Oxetanes |

2835 | nThioethanes | number of Thioethanes |

2836 | nBeta-Lactams | number of Beta-Lactams |

2837 | nPyrrolidines | number of Pyrrolidines |

2838 | nOxolanes | number of Oxolanes |

2839 | ntH-Thiophenes | number of tetrahydro-thiophenes |

2840 | nPyrroles | number of Pyrroles |

2841 | nPyrazoles | number of Pyrazoles |

2842 | nImidazoles | number of Imidazoles |

2843 | nFuranes | number of Furanes |

2844 | nThiophenes | number of Thiophenes |

2845 | nOxazoles | number of Oxazoles |

2846 | nIsoxazoles | number of Isoxazoles |

2847 | nThiazoles | number of Thiazoles |

2848 | nIsothiazoles | number of Isothiazoles |

2849 | nTriazoles | number of Triazoles |

2850 | nPyridines | number of Pyridines |

2851 | nPyridazines | number of Pyridazines |

2852 | nPyrimidines | number of Pyrimidines |

2853 | nPyrazines | number of Pyrazines |

2854 | n135-Triazines | number of 1-3-5-Triazines |

2855 | n124-Triazines | number of 1-2-4-Triazines |

2856 | nHDon | number of donor atoms for H-bonds (N and O) |

2857 | nHAcc | number of acceptor atoms for H-bonds (N,O,F) |

2858 | nHBonds | number of intramolecular H-bonds (with N,O,F) |

## Atom-centred fragments

No. | Name | Description |
---|---|---|

2859 | C-001 | CH_{3}R, CH_{4} |

2860 | C-002 | CH_{2}R_{2} |

2861 | C-003 | CHR_{3} |

2862 | C-004 | CR_{4} |

2863 | C-005 | CH_{3}X |

2864 | C-006 | CH_{2}RX |

2865 | C-007 | CH_{2}X_{2} |

2866 | C-008 | CHR_{2}X |

2867 | C-009 | CHRX_{2} |

2868 | C-010 | CHX_{3} |

2869 | C-011 | CR_{3}X |

2870 | C-012 | CR_{2}X_{2} |

2871 | C-013 | CRX_{3} |

2872 | C-014 | CX_{4} |

2873 | C-015 | =CH_{2} |

2874 | C-016 | =CHR |

2875 | C-017 | =CR_{2} |

2876 | C-018 | =CHX |

2877 | C-019 | =CRX |

2878 | C-020 | =CX_{2} |

2879 | C-021 | ≡CH |

2880 | C-022 | ≡CR, R=C=R |

2881 | C-023 | ≡CX |

2882 | C-024 | R:CH:R |

2883 | C-025 | R:CR:R |

2884 | C-026 | R:CX:R |

2885 | C-027 | R:CH:X |

2886 | C-028 | R:CR:X |

2887 | C-029 | R:CX:X |

2888 | C-030 | X:CH:X |

2889 | C-031 | X:CR:X |

2890 | C-032 | X:CX:X |

2891 | C-033 | R:CH•••X |

2892 | C-034 | R:CR•••X |

2893 | C-035 | R:CX•••X |

2894 | C-036 | Al-CH=X |

2895 | C-037 | Ar-CH=X |

2896 | C-038 | Al-C(=X)-Al |

2897 | C-039 | Ar-C(=X)-R |

2898 | C-040 | R-C(=X)-X, R-C≡X, X=C=X |

2899 | C-041 | X-C(=X)-X |

2900 | C-042 | X:CH•••X |

2901 | C-043 | X:CR•••X |

2902 | C-044 | X:CX•••X |

2903 | H-046 | H attached to C^{0}_{sp3} no X attached to next C |

2904 | H-047 | H attached to C^{1}_{sp3}, C^{0}_{sp2} |

2905 | H-048 | H attached to C^{2}_{sp3}, C^{1}_{sp2}, C^{0}_{sp} |

2906 | H-049 | H attached to C^{3}_{sp3}, C^{2-3}_{sp2}, C^{3}_{sp} |

2907 | H-050 | H attached to heteroatom |

2908 | H-051 | H attached to α-C |

2909 | H-052 | H attached to C^{0}_{sp3} with 1X attached to next C |

2910 | H-053 | H attached to C^{0}_{sp3} with 2X attached to next C |

2911 | H-054 | H attached to C^{0}_{sp3} with 3X attached to next C |

2912 | H-055 | H attached to C^{0}_{sp3} with 4X attached to next C |

2913 | O-056 | alcohol |

2914 | O-057 | phenol, enol, carboxyl OH |

2915 | O-058 | =O |

2916 | O-059 | Al-O-Al |

2917 | O-060 | Al-O-Ar, Ar-O-Ar, R•••O•••R, R-O-C=X |

2918 | O-061 | -O (as in nitro, N-oxide) |

2919 | O-062 | O^{–} (negatively charged) |

2920 | O-063 | R-O-O-R |

2921 | Se-064 | Any-Se-Any |

2922 | Se-065 | =Se |

2923 | N-066 | Al-NH_{2} |

2924 | N-067 | Al_{2}-NH |

2925 | N-068 | Al_{3}-N |

2926 | N-069 | Ar-NH_{2}, X-NH_{2} |

2927 | N-070 | Ar-NH-Al |

2928 | N-071 | Ar-NAl_{2} |

2929 | N-072 | RCO-N<, >N-X=X |

2930 | N-073 | Ar_{2}NH, Ar_{3}N, Ar_{2}N-Al, R•••N•••R (pyrrole-type structure) |

2931 | N-074 | R≡N, R=N- |

2932 | N-075 | R:N:R, R:N:X (pyridine-type structure) |

2933 | N-076 | Ar-NO_{2}, R:N(:R):O (pyridine N-oxide type structure), RO-NO |

2934 | N-077 | Al-NO_{2} |

2935 | N-078 | Ar-N=X, X-N=X |

2936 | N-079 | N^{+} (positively charged) |

2937 | F-081 | F attached to C^{1}_{sp3} |

2938 | F-082 | F attached to C^{2}2_{sp3} |

2939 | F-083 | F attached to C^{3}_{sp3} |

2940 | F-084 | F attached to C^{1}_{sp2} |

2941 | F-085 | F attached to C^{2-4}_{sp2}, C^{1}_{sp}, C^{4}_{sp3}, X |

2942 | Cl-086 | Cl attached to C^{1}_{sp3} |

2943 | Cl-087 | Cl attached to C^{2}_{sp3} |

2944 | Cl-088 | Cl attached to C^{3}_{sp3} |

2945 | Cl-089 | Cl attached to C^{1}_{sp2} |

2946 | Cl-090 | Cl attached to C^{2-4}_{sp2}, C^{1}_{sp}, C^{4}_{sp3}, X |

2947 | Br-091 | Br attached to C^{1}_{sp3} |

2948 | Br-092 | Br attached to C^{2}_{sp3} |

2949 | Br-093 | Br attached to C^{3}_{sp3} |

2950 | Br-094 | Br attached to C^{1}_{sp2} |

2951 | Br-095 | Br attached to C^{2-4}_{sp2}, C^{1}_{sp}, C^{4}_{sp3}, X |

2952 | I-096 | I attached to C^{1}_{sp3} |

2953 | I-097 | I attached to C^{2}_{sp3} |

2954 | I-098 | I attached to C^{3}_{sp3} |

2955 | I-099 | I attached to C^{1}_{sp2} |

2956 | I-100 | I attached to C^{2-4}_{sp2}, C^{1}_{sp}, C^{4}_{sp3}, X |

2957 | F-101 | fluoride ion |

2958 | Cl-102 | chloride ion |

2959 | Br-103 | bromide ion |

2960 | I-104 | iodide ion |

2961 | S-106 | R-SH |

2962 | S-107 | R_{2}S, RS-SR |

2963 | S-108 | R=S |

2964 | S-109 | R-SO-R |

2965 | S-110 | R-SO_{2}-R |

2966 | Si-111 | >Si< |

2967 | B-112 | >B- as in boranes |

2968 | P-115 | P ylids |

2969 | P-116 | R_{3}-P=X |

2970 | P-117 | X_{3}-P=X (phosphate) |

2971 | P-118 | PX_{3} (phosphite) |

2972 | P-119 | PR_{3} (phosphine) |

2973 | P-120 | C-P(X)_{2}=X (phosphonate) |

## Atom-type E-state indices

No. | Name | Description |
---|---|---|

2974 | SsCH3 | Sum of sCH3 E-states |

2975 | SdCH2 | Sum of dCH2 E-states |

2976 | SssCH2 | Sum of ssCH2 E-states |

2977 | StCH | Sum of tCH E-states |

2978 | SdsCH | Sum of dsCH E-states |

2979 | SaaCH | Sum of aaCH E-states |

2980 | SsssCH | Sum of sssCH E-states |

2981 | SddC | Sum of ddC E-states |

2982 | StsC | Sum of tsC E-states |

2983 | SdssC | Sum of dssC E-states |

2984 | SaasC | Sum of aasC E-states |

2985 | SaaaC | Sum of aaaC E-states |

2986 | SssssC | Sum of ssssC E-states |

2987 | SsNH2 | Sum of sNH2 E-states |

2988 | SssNH | Sum of ssNH E-states |

2989 | SdNH | Sum of dNH E-states |

2990 | SsssN | Sum of sssN E-states |

2991 | SdsN | Sum of dsN E-states |

2992 | SaaN | Sum of aaN E-states |

2993 | StN | Sum of tN E-states |

2994 | SsNH3+ | Sum of sNH3+ E-states |

2995 | SssNH2+ | Sum of ssNH2+ E-states |

2996 | SdNH2+ | Sum of dNH2+ E-states |

2997 | SsssNH+ | Sum of sssNH+ E-states |

2998 | SssssN+ | Sum of ssssN+ E-states |

2999 | SddsN | Sum of ddsN E-states |

3000 | SaadN | Sum of aadN E-states |

3001 | SaasN | Sum of aasN E-states |

3002 | SaaNH | Sum of aaNH E-states |

3003 | SsOH | Sum of sOH E-states |

3004 | SdO | Sum of dO E-states |

3005 | SssO | Sum of ssO E-states |

3006 | SaaO | Sum of aaO E-states |

3007 | SsPH2 | Sum of sPH2 E-states |

3008 | SssPH | Sum of ssPH E-states |

3009 | SsssP | Sum of sssP E-states |

3010 | SdsssP | Sum of dsssP E-states |

3011 | SddsP | Sum of ddsP E-states |

3012 | SsssssP | Sum of sssssP E-states |

3013 | SsSH | Sum of sSH E-states |

3014 | SdS | Sum of dS E-states |

3015 | SssS | Sum of ssS E-states |

3016 | SaaS | Sum of aaS E-states |

3017 | SdssS | Sum of dssS E-states |

3018 | SddssS | Sum of ddssS E-states |

3019 | SssssssS | Sum of ssssssS E-states |

3020 | SsF | Sum of sF E-states |

3021 | SsCl | Sum of sCl E-states |

3022 | SsBr | Sum of sBr E-states |

3023 | SsI | Sum of sI E-states |

3024 | SsLi | Sum of sLi E-states |

3025 | SssBe | Sum of ssBe E-states |

3026 | SssssBe- | Sum of ssssBe- E-states |

3027 | SsBH2 | Sum of sBH2 E-states |

3028 | SssBH | Sum of ssBH E-states |

3029 | SsssB | Sum of sssB E-states |

3030 | SssssB- | Sum of ssssB- E-states |

3031 | SsGeH3 | Sum of sGeH3 E-states |

3032 | SssGeH2 | Sum of ssGeH2 E-states |

3033 | SsssGeH | Sum of sssGeH E-states |

3034 | SssssGe | Sum of ssssGe E-states |

3035 | SsAsH2 | Sum of sAsH2 E-states |

3036 | SssAsH | Sum of ssAsH E-states |

3037 | SsssAs | Sum of sssAs E-states |

3038 | SsssssAs | Sum of sssssAs E-states |

3039 | SdsssAs | Sum of dsssAs E-states |

3040 | SddsAs | Sum of ddsAs E-states |

3041 | SsSeH | Sum of sSeH E-states |

3042 | SdSe | Sum of dSe E-states |

3043 | SssSe | Sum of ssSe E-states |

3044 | SaaSe | Sum of aaSe E-states |

3045 | SdssSe | Sum of dssSe E-states |

3046 | SssssssSe | Sum of ssssssSe E-states |

3047 | SddssSe | Sum of ddssSe E-states |

3048 | SsSnH3 | Sum of sSnH3 E-states |

3049 | SssSnH2 | Sum of ssSnH2 E-states |

3050 | SsssSnH | Sum of sssSnH E-states |

3051 | SssssSn | Sum of ssssSn E-states |

3052 | SsPbH3 | Sum of sPbH3 E-states |

3053 | SssPbH2 | Sum of ssPbH2 E-states |

3054 | SsssPbH | Sum of sssPbH E-states |

3055 | SssssPb | Sum of ssssPb E-states |

3056 | SsSiH3 | Sum of sSiH3 E-states |

3057 | SssSiH2 | Sum of ssSiH2 E-states |

3058 | SsssSiH | Sum of sssSiH E-states |

3059 | SssssSi | Sum of ssssSi E-states |

3060 | NsCH3 | Number of atoms of type sCH3 |

3061 | NdCH2 | Number of atoms of type dCH2 |

3062 | NssCH2 | Number of atoms of type ssCH2 |

3063 | NtCH | Number of atoms of type tCH |

3064 | NdsCH | Number of atoms of type dsCH |

3065 | NaaCH | Number of atoms of type aaCH |

3066 | NsssCH | Number of atoms of type sssCH |

3067 | NddC | Number of atoms of type ddC |

3068 | NtsC | Number of atoms of type tsC |

3069 | NdssC | Number of atoms of type dssC |

3070 | NaasC | Number of atoms of type aasC |

3071 | NaaaC | Number of atoms of type aaaC |

3072 | NssssC | Number of atoms of type ssssC |

3073 | NsNH2 | Number of atoms of type sNH2 |

3074 | NssNH | Number of atoms of type ssNH |

3075 | NdNH | Number of atoms of type dNH |

3076 | NsssN | Number of atoms of type sssN |

3077 | NdsN | Number of atoms of type dsN |

3078 | NaaN | Number of atoms of type aaN |

3079 | NtN | Number of atoms of type tN |

3080 | NsNH3+ | Number of atoms of type sNH3+ |

3081 | NssNH2+ | Number of atoms of type ssNH2+ |

3082 | NdNH2+ | Number of atoms of type dNH2+ |

3083 | NsssNH+ | Number of atoms of type sssNH+ |

3084 | NssssN+ | Number of atoms of type ssssN+ |

3085 | NddsN | Number of atoms of type ddsN |

3086 | NaadN | Number of atoms of type aadN |

3087 | NaasN | Number of atoms of type aasN |

3088 | NaaNH | Number of atoms of type aaNH |

3089 | NsOH | Number of atoms of type sOH |

3090 | NdO | Number of atoms of type dO |

3091 | NssO | Number of atoms of type ssO |

3092 | NaaO | Number of atoms of type aaO |

3093 | NsPH2 | Number of atoms of type sPH2 |

3094 | NssPH | Number of atoms of type ssPH |

3095 | NsssP | Number of atoms of type sssP |

3096 | NdsssP | Number of atoms of type dsssP |

3097 | NddsP | Number of atoms of type ddsP |

3098 | NsssssP | Number of atoms of type sssssP |

3099 | NsSH | Number of atoms of type sSH |

3100 | NdS | Number of atoms of type dS |

3101 | NssS | Number of atoms of type ssS |

3102 | NaaS | Number of atoms of type aaS |

3103 | NdssS | Number of atoms of type dssS |

3104 | NddssS | Number of atoms of type ddssS |

3105 | NssssssS | Number of atoms of type ssssssS |

3106 | NsF | Number of atoms of type sF |

3107 | NsCl | Number of atoms of type sCl |

3108 | NsBr | Number of atoms of type sBr |

3109 | NsI | Number of atoms of type sI |

3110 | NsLi | Number of atoms of type sLi |

3111 | NssBe | Number of atoms of type ssBe |

3112 | NssssBe- | Number of atoms of type ssssBe- |

3113 | NsBH2 | Number of atoms of type sBH2 |

3114 | NssBH | Number of atoms of type ssBH |

3115 | NsssB | Number of atoms of type sssB |

3116 | NssssB- | Number of atoms of type ssssB- |

3117 | NsGeH3 | Number of atoms of type sGeH3 |

3118 | NssGeH2 | Number of atoms of type ssGeH2 |

3119 | NsssGeH | Number of atoms of type sssGeH |

3120 | NssssGe | Number of atoms of type ssssGe |

3121 | NsAsH2 | Number of atoms of type sAsH2 |

3122 | NssAsH | Number of atoms of type ssAsH |

3123 | NsssAs | Number of atoms of type sssAs |

3124 | NsssssAs | Number of atoms of type sssssAs |

3125 | NdsssAs | Number of atoms of type dsssAs |

3126 | NddsAs | Number of atoms of type ddsAs |

3127 | NsSeH | Number of atoms of type sSeH |

3128 | NdSe | Number of atoms of type dSe |

3129 | NssSe | Number of atoms of type ssSe |

3130 | NaaSe | Number of atoms of type aaSe |

3131 | NdssSe | Number of atoms of type dssSe |

3132 | NssssssSe | Number of atoms of type ssssssSe |

3133 | NddssSe | Number of atoms of type ddssSe |

3134 | NsSnH3 | Number of atoms of type sSnH3 |

3135 | NssSnH2 | Number of atoms of type ssSnH2 |

3136 | NsssSnH | Number of atoms of type sssSnH |

3137 | NssssSn | Number of atoms of type ssssSn |

3138 | NsPbH3 | Number of atoms of type sPbH3 |

3139 | NssPbH2 | Number of atoms of type ssPbH2 |

3140 | NsssPbH | Number of atoms of type sssPbH |

3141 | NssssPb | Number of atoms of type ssssPb |

3142 | NsSiH3 | Number of atoms of type sSiH3 |

3143 | NssSiH2 | Number of atoms of type ssSiH2 |

3144 | NsssSiH | Number of atoms of type sssSiH |

3145 | NssssSi | Number of atoms of type ssssSi |

## Pharmacophore descriptors

No. | Name | Description |
---|---|---|

3146 | CATS2D_00_DD | CATS2D Donor-Donor at lag 00 |

3147 | CATS2D_01_DD | CATS2D Donor-Donor at lag 01 |

3148 | CATS2D_02_DD | CATS2D Donor-Donor at lag 02 |

3149 | CATS2D_03_DD | CATS2D Donor-Donor at lag 03 |

3150 | CATS2D_04_DD | CATS2D Donor-Donor at lag 04 |

3151 | CATS2D_05_DD | CATS2D Donor-Donor at lag 05 |

3152 | CATS2D_06_DD | CATS2D Donor-Donor at lag 06 |

3153 | CATS2D_07_DD | CATS2D Donor-Donor at lag 07 |

3154 | CATS2D_08_DD | CATS2D Donor-Donor at lag 08 |

3155 | CATS2D_09_DD | CATS2D Donor-Donor at lag 09 |

3156 | CATS2D_00_DA | CATS2D Donor-Acceptor at lag 00 |

3157 | CATS2D_01_DA | CATS2D Donor-Acceptor at lag 01 |

3158 | CATS2D_02_DA | CATS2D Donor-Acceptor at lag 02 |

3159 | CATS2D_03_DA | CATS2D Donor-Acceptor at lag 03 |

3160 | CATS2D_04_DA | CATS2D Donor-Acceptor at lag 04 |

3161 | CATS2D_05_DA | CATS2D Donor-Acceptor at lag 05 |

3162 | CATS2D_06_DA | CATS2D Donor-Acceptor at lag 06 |

3163 | CATS2D_07_DA | CATS2D Donor-Acceptor at lag 07 |

3164 | CATS2D_08_DA | CATS2D Donor-Acceptor at lag 08 |

3165 | CATS2D_09_DA | CATS2D Donor-Acceptor at lag 09 |

3166 | CATS2D_00_DP | CATS2D Donor-Positive at lag 00 |

3167 | CATS2D_01_DP | CATS2D Donor-Positive at lag 01 |

3168 | CATS2D_02_DP | CATS2D Donor-Positive at lag 02 |

3169 | CATS2D_03_DP | CATS2D Donor-Positive at lag 03 |

3170 | CATS2D_04_DP | CATS2D Donor-Positive at lag 04 |

3171 | CATS2D_05_DP | CATS2D Donor-Positive at lag 05 |

3172 | CATS2D_06_DP | CATS2D Donor-Positive at lag 06 |

3173 | CATS2D_07_DP | CATS2D Donor-Positive at lag 07 |

3174 | CATS2D_08_DP | CATS2D Donor-Positive at lag 08 |

3175 | CATS2D_09_DP | CATS2D Donor-Positive at lag 09 |

3176 | CATS2D_00_DN | CATS2D Donor-Negative at lag 00 |

3177 | CATS2D_01_DN | CATS2D Donor-Negative at lag 01 |

3178 | CATS2D_02_DN | CATS2D Donor-Negative at lag 02 |

3179 | CATS2D_03_DN | CATS2D Donor-Negative at lag 03 |

3180 | CATS2D_04_DN | CATS2D Donor-Negative at lag 04 |

3181 | CATS2D_05_DN | CATS2D Donor-Negative at lag 05 |

3182 | CATS2D_06_DN | CATS2D Donor-Negative at lag 06 |

3183 | CATS2D_07_DN | CATS2D Donor-Negative at lag 07 |

3184 | CATS2D_08_DN | CATS2D Donor-Negative at lag 08 |

3185 | CATS2D_09_DN | CATS2D Donor-Negative at lag 09 |

3186 | CATS2D_00_DL | CATS2D Donor-Lipophilic at lag 00 |

3187 | CATS2D_01_DL | CATS2D Donor-Lipophilic at lag 01 |

3188 | CATS2D_02_DL | CATS2D Donor-Lipophilic at lag 02 |

3189 | CATS2D_03_DL | CATS2D Donor-Lipophilic at lag 03 |

3190 | CATS2D_04_DL | CATS2D Donor-Lipophilic at lag 04 |

3191 | CATS2D_05_DL | CATS2D Donor-Lipophilic at lag 05 |

3192 | CATS2D_06_DL | CATS2D Donor-Lipophilic at lag 06 |

3193 | CATS2D_07_DL | CATS2D Donor-Lipophilic at lag 07 |

3194 | CATS2D_08_DL | CATS2D Donor-Lipophilic at lag 08 |

3195 | CATS2D_09_DL | CATS2D Donor-Lipophilic at lag 09 |

3196 | CATS2D_00_AA | CATS2D Acceptor-Acceptor at lag 00 |

3197 | CATS2D_01_AA | CATS2D Acceptor-Acceptor at lag 01 |

3198 | CATS2D_02_AA | CATS2D Acceptor-Acceptor at lag 02 |

3199 | CATS2D_03_AA | CATS2D Acceptor-Acceptor at lag 03 |

3200 | CATS2D_04_AA | CATS2D Acceptor-Acceptor at lag 04 |

3201 | CATS2D_05_AA | CATS2D Acceptor-Acceptor at lag 05 |

3202 | CATS2D_06_AA | CATS2D Acceptor-Acceptor at lag 06 |

3203 | CATS2D_07_AA | CATS2D Acceptor-Acceptor at lag 07 |

3204 | CATS2D_08_AA | CATS2D Acceptor-Acceptor at lag 08 |

3205 | CATS2D_09_AA | CATS2D Acceptor-Acceptor at lag 09 |

3206 | CATS2D_00_AP | CATS2D Acceptor-Positive at lag 00 |

3207 | CATS2D_01_AP | CATS2D Acceptor-Positive at lag 01 |

3208 | CATS2D_02_AP | CATS2D Acceptor-Positive at lag 02 |

3209 | CATS2D_03_AP | CATS2D Acceptor-Positive at lag 03 |

3210 | CATS2D_04_AP | CATS2D Acceptor-Positive at lag 04 |

3211 | CATS2D_05_AP | CATS2D Acceptor-Positive at lag 05 |

3212 | CATS2D_06_AP | CATS2D Acceptor-Positive at lag 06 |

3213 | CATS2D_07_AP | CATS2D Acceptor-Positive at lag 07 |

3214 | CATS2D_08_AP | CATS2D Acceptor-Positive at lag 08 |

3215 | CATS2D_09_AP | CATS2D Acceptor-Positive at lag 09 |

3216 | CATS2D_00_AN | CATS2D Acceptor-Negative at lag 00 |

3217 | CATS2D_01_AN | CATS2D Acceptor-Negative at lag 01 |

3218 | CATS2D_02_AN | CATS2D Acceptor-Negative at lag 02 |

3219 | CATS2D_03_AN | CATS2D Acceptor-Negative at lag 03 |

3220 | CATS2D_04_AN | CATS2D Acceptor-Negative at lag 04 |

3221 | CATS2D_05_AN | CATS2D Acceptor-Negative at lag 05 |

3222 | CATS2D_06_AN | CATS2D Acceptor-Negative at lag 06 |

3223 | CATS2D_07_AN | CATS2D Acceptor-Negative at lag 07 |

3224 | CATS2D_08_AN | CATS2D Acceptor-Negative at lag 08 |

3225 | CATS2D_09_AN | CATS2D Acceptor-Negative at lag 09 |

3226 | CATS2D_00_AL | CATS2D Acceptor-Lipophilic at lag 00 |

3227 | CATS2D_01_AL | CATS2D Acceptor-Lipophilic at lag 01 |

3228 | CATS2D_02_AL | CATS2D Acceptor-Lipophilic at lag 02 |

3229 | CATS2D_03_AL | CATS2D Acceptor-Lipophilic at lag 03 |

3230 | CATS2D_04_AL | CATS2D Acceptor-Lipophilic at lag 04 |

3231 | CATS2D_05_AL | CATS2D Acceptor-Lipophilic at lag 05 |

3232 | CATS2D_06_AL | CATS2D Acceptor-Lipophilic at lag 06 |

3233 | CATS2D_07_AL | CATS2D Acceptor-Lipophilic at lag 07 |

3234 | CATS2D_08_AL | CATS2D Acceptor-Lipophilic at lag 08 |

3235 | CATS2D_09_AL | CATS2D Acceptor-Lipophilic at lag 09 |

3236 | CATS2D_00_PP | CATS2D Positive-Positive at lag 00 |

3237 | CATS2D_01_PP | CATS2D Positive-Positive at lag 01 |

3238 | CATS2D_02_PP | CATS2D Positive-Positive at lag 02 |

3239 | CATS2D_03_PP | CATS2D Positive-Positive at lag 03 |

3240 | CATS2D_04_PP | CATS2D Positive-Positive at lag 04 |

3241 | CATS2D_05_PP | CATS2D Positive-Positive at lag 05 |

3242 | CATS2D_06_PP | CATS2D Positive-Positive at lag 06 |

3243 | CATS2D_07_PP | CATS2D Positive-Positive at lag 07 |

3244 | CATS2D_08_PP | CATS2D Positive-Positive at lag 08 |

3245 | CATS2D_09_PP | CATS2D Positive-Positive at lag 09 |

3246 | CATS2D_00_PN | CATS2D Positive-Negative at lag 00 |

3247 | CATS2D_01_PN | CATS2D Positive-Negative at lag 01 |

3248 | CATS2D_02_PN | CATS2D Positive-Negative at lag 02 |

3249 | CATS2D_03_PN | CATS2D Positive-Negative at lag 03 |

3250 | CATS2D_04_PN | CATS2D Positive-Negative at lag 04 |

3251 | CATS2D_05_PN | CATS2D Positive-Negative at lag 05 |

3252 | CATS2D_06_PN | CATS2D Positive-Negative at lag 06 |

3253 | CATS2D_07_PN | CATS2D Positive-Negative at lag 07 |

3254 | CATS2D_08_PN | CATS2D Positive-Negative at lag 08 |

3255 | CATS2D_09_PN | CATS2D Positive-Negative at lag 09 |

3256 | CATS2D_00_PL | CATS2D Positive-Lipophilic at lag 00 |

3257 | CATS2D_01_PL | CATS2D Positive-Lipophilic at lag 01 |

3258 | CATS2D_02_PL | CATS2D Positive-Lipophilic at lag 02 |

3259 | CATS2D_03_PL | CATS2D Positive-Lipophilic at lag 03 |

3260 | CATS2D_04_PL | CATS2D Positive-Lipophilic at lag 04 |

3261 | CATS2D_05_PL | CATS2D Positive-Lipophilic at lag 05 |

3262 | CATS2D_06_PL | CATS2D Positive-Lipophilic at lag 06 |

3263 | CATS2D_07_PL | CATS2D Positive-Lipophilic at lag 07 |

3264 | CATS2D_08_PL | CATS2D Positive-Lipophilic at lag 08 |

3265 | CATS2D_09_PL | CATS2D Positive-Lipophilic at lag 09 |

3266 | CATS2D_00_NN | CATS2D Negative-Negative at lag 00 |

3267 | CATS2D_01_NN | CATS2D Negative-Negative at lag 01 |

3268 | CATS2D_02_NN | CATS2D Negative-Negative at lag 02 |

3269 | CATS2D_03_NN | CATS2D Negative-Negative at lag 03 |

3270 | CATS2D_04_NN | CATS2D Negative-Negative at lag 04 |

3271 | CATS2D_05_NN | CATS2D Negative-Negative at lag 05 |

3272 | CATS2D_06_NN | CATS2D Negative-Negative at lag 06 |

3273 | CATS2D_07_NN | CATS2D Negative-Negative at lag 07 |

3274 | CATS2D_08_NN | CATS2D Negative-Negative at lag 08 |

3275 | CATS2D_09_NN | CATS2D Negative-Negative at lag 09 |

3276 | CATS2D_00_NL | CATS2D Negative-Lipophilic at lag 00 |

3277 | CATS2D_01_NL | CATS2D Negative-Lipophilic at lag 01 |

3278 | CATS2D_02_NL | CATS2D Negative-Lipophilic at lag 02 |

3279 | CATS2D_03_NL | CATS2D Negative-Lipophilic at lag 03 |

3280 | CATS2D_04_NL | CATS2D Negative-Lipophilic at lag 04 |

3281 | CATS2D_05_NL | CATS2D Negative-Lipophilic at lag 05 |

3282 | CATS2D_06_NL | CATS2D Negative-Lipophilic at lag 06 |

3283 | CATS2D_07_NL | CATS2D Negative-Lipophilic at lag 07 |

3284 | CATS2D_08_NL | CATS2D Negative-Lipophilic at lag 08 |

3285 | CATS2D_09_NL | CATS2D Negative-Lipophilic at lag 09 |

3286 | CATS2D_00_LL | CATS2D Lipophilic-Lipophilic at lag 00 |

3287 | CATS2D_01_LL | CATS2D Lipophilic-Lipophilic at lag 01 |

3288 | CATS2D_02_LL | CATS2D Lipophilic-Lipophilic at lag 02 |

3289 | CATS2D_03_LL | CATS2D Lipophilic-Lipophilic at lag 03 |

3290 | CATS2D_04_LL | CATS2D Lipophilic-Lipophilic at lag 04 |

3291 | CATS2D_05_LL | CATS2D Lipophilic-Lipophilic at lag 05 |

3292 | CATS2D_06_LL | CATS2D Lipophilic-Lipophilic at lag 06 |

3293 | CATS2D_07_LL | CATS2D Lipophilic-Lipophilic at lag 07 |

3294 | CATS2D_08_LL | CATS2D Lipophilic-Lipophilic at lag 08 |

3295 | CATS2D_09_LL | CATS2D Lipophilic-Lipophilic at lag 09 |

3296 | SHED_DD | SHED Donor-Donor |

3297 | SHED_DA | SHED Donor-Acceptor |

3298 | SHED_DP | SHED Donor-Positive |

3299 | SHED_DN | SHED Donor-Negative |

3300 | SHED_DL | SHED Donor-Lipophilic |

3301 | SHED_AA | SHED Acceptor-Acceptor |

3302 | SHED_AP | SHED Acceptor-Positive |

3303 | SHED_AN | SHED Acceptor-Negative |

3304 | SHED_AL | SHED Acceptor-Lipophilic |

3305 | SHED_PP | SHED Positive-Positive |

3306 | SHED_PN | SHED Positive-Negative |

3307 | SHED_PL | SHED Positive-Lipophilic |

3308 | SHED_NN | SHED Negative-Negative |

3309 | SHED_NL | SHED Negative-Lipophilic |

3310 | SHED_LL | SHED Lipophilic-Lipophilic |

## 2D Atom Pairs

No. | Name | Description |
---|---|---|

3311 | T(N..N) | sum of topological distances between N..N |

3312 | T(N..O) | sum of topological distances between N..O |

3313 | T(N..S) | sum of topological distances between N..S |

3314 | T(N..P) | sum of topological distances between N..P |

3315 | T(N..F) | sum of topological distances between N..F |

3316 | T(N..Cl) | sum of topological distances between N..Cl |

3317 | T(N..Br) | sum of topological distances between N..Br |

3318 | T(N..I) | sum of topological distances between N..I |

3319 | T(O..O) | sum of topological distances between O..O |

3320 | T(O..S) | sum of topological distances between O..S |

3321 | T(O..P) | sum of topological distances between O..P |

3322 | T(O..F) | sum of topological distances between O..F |

3323 | T(O..Cl) | sum of topological distances between O..Cl |

3324 | T(O..Br) | sum of topological distances between O..Br |

3325 | T(O..I) | sum of topological distances between O..I |

3326 | T(S..S) | sum of topological distances between S..S |

3327 | T(S..P) | sum of topological distances between S..P |

3328 | T(S..F) | sum of topological distances between S..F |

3329 | T(S..Cl) | sum of topological distances between S..Cl |

3330 | T(S..Br) | sum of topological distances between S..Br |

3331 | T(S..I) | sum of topological distances between S..I |

3332 | T(P..P) | sum of topological distances between P..P |

3333 | T(P..F) | sum of topological distances between P..F |

3334 | T(P..Cl) | sum of topological distances between P..Cl |

3335 | T(P..Br) | sum of topological distances between P..Br |

3336 | T(P..I) | sum of topological distances between P..I |

3337 | T(F..F) | sum of topological distances between F..F |

3338 | T(F..Cl) | sum of topological distances between F..Cl |

3339 | T(F..Br) | sum of topological distances between F..Br |

3340 | T(F..I) | sum of topological distances between F..I |

3341 | T(Cl..Cl) | sum of topological distances between Cl..Cl |

3342 | T(Cl..Br) | sum of topological distances between Cl..Br |

3343 | T(Cl..I) | sum of topological distances between Cl..I |

3344 | T(Br..Br) | sum of topological distances between Br..Br |

3345 | T(Br..I) | sum of topological distances between Br..I |

3346 | T(I..I) | sum of topological distances between I..I |

3347 | B01[C-C] | Presence/absence of C – C at topological distance 1 |

3348 | B01[C-N] | Presence/absence of C – N at topological distance 1 |

3349 | B01[C-O] | Presence/absence of C – O at topological distance 1 |

3350 | B01[C-S] | Presence/absence of C – S at topological distance 1 |

3351 | B01[C-P] | Presence/absence of C – P at topological distance 1 |

3352 | B01[C-F] | Presence/absence of C – F at topological distance 1 |

3353 | B01[C-Cl] | Presence/absence of C – Cl at topological distance 1 |

3354 | B01[C-Br] | Presence/absence of C – Br at topological distance 1 |

3355 | B01[C-I] | Presence/absence of C – I at topological distance 1 |

3356 | B01[C-B] | Presence/absence of C – B at topological distance 1 |

3357 | B01[C-Si] | Presence/absence of C – Si at topological distance 1 |

3358 | B01[C-X] | Presence/absence of C – X at topological distance 1 |

3359 | B01[N-N] | Presence/absence of N – N at topological distance 1 |

3360 | B01[N-O] | Presence/absence of N – O at topological distance 1 |

3361 | B01[N-S] | Presence/absence of N – S at topological distance 1 |

3362 | B01[N-P] | Presence/absence of N – P at topological distance 1 |

3363 | B01[N-F] | Presence/absence of N – F at topological distance 1 |

3364 | B01[N-Cl] | Presence/absence of N – Cl at topological distance 1 |

3365 | B01[N-Br] | Presence/absence of N – Br at topological distance 1 |

3366 | B01[N-I] | Presence/absence of N – I at topological distance 1 |

3367 | B01[N-B] | Presence/absence of N – B at topological distance 1 |

3368 | B01[N-Si] | Presence/absence of N – Si at topological distance 1 |

3369 | B01[N-X] | Presence/absence of N – X at topological distance 1 |

3370 | B01[O-O] | Presence/absence of O – O at topological distance 1 |

3371 | B01[O-S] | Presence/absence of O – S at topological distance 1 |

3372 | B01[O-P] | Presence/absence of O – P at topological distance 1 |

3373 | B01[O-F] | Presence/absence of O – F at topological distance 1 |

3374 | B01[O-Cl] | Presence/absence of O – Cl at topological distance 1 |

3375 | B01[O-Br] | Presence/absence of O – Br at topological distance 1 |

3376 | B01[O-I] | Presence/absence of O – I at topological distance 1 |

3377 | B01[O-B] | Presence/absence of O – B at topological distance 1 |

3378 | B01[O-Si] | Presence/absence of O – Si at topological distance 1 |

3379 | B01[O-X] | Presence/absence of O – X at topological distance 1 |

3380 | B01[S-S] | Presence/absence of S – S at topological distance 1 |

3381 | B01[S-P] | Presence/absence of S – P at topological distance 1 |

3382 | B01[S-F] | Presence/absence of S – F at topological distance 1 |

3383 | B01[S-Cl] | Presence/absence of S – Cl at topological distance 1 |

3384 | B01[S-Br] | Presence/absence of S – Br at topological distance 1 |

3385 | B01[S-I] | Presence/absence of S – I at topological distance 1 |

3386 | B01[S-B] | Presence/absence of S – B at topological distance 1 |

3387 | B01[S-Si] | Presence/absence of S – Si at topological distance 1 |

3388 | B01[S-X] | Presence/absence of S – X at topological distance 1 |

3389 | B01[P-P] | Presence/absence of P – P at topological distance 1 |

3390 | B01[P-F] | Presence/absence of P – F at topological distance 1 |

3391 | B01[P-Cl] | Presence/absence of P – Cl at topological distance 1 |

3392 | B01[P-Br] | Presence/absence of P – Br at topological distance 1 |

3393 | B01[P-I] | Presence/absence of P – I at topological distance 1 |

3394 | B01[P-B] | Presence/absence of P – B at topological distance 1 |

3395 | B01[P-Si] | Presence/absence of P – Si at topological distance 1 |

3396 | B01[P-X] | Presence/absence of P – X at topological distance 1 |

3397 | B01[F-F] | Presence/absence of F – F at topological distance 1 |

3398 | B01[F-Cl] | Presence/absence of F – Cl at topological distance 1 |

3399 | B01[F-Br] | Presence/absence of F – Br at topological distance 1 |

3400 | B01[F-I] | Presence/absence of F – I at topological distance 1 |

3401 | B01[F-B] | Presence/absence of F – B at topological distance 1 |

3402 | B01[F-Si] | Presence/absence of F – Si at topological distance 1 |

3403 | B01[F-X] | Presence/absence of F – X at topological distance 1 |

3404 | B01[Cl-Cl] | Presence/absence of Cl – Cl at topological distance 1 |

3405 | B01[Cl-Br] | Presence/absence of Cl – Br at topological distance 1 |

3406 | B01[Cl-I] | Presence/absence of Cl – I at topological distance 1 |

3407 | B01[Cl-B] | Presence/absence of Cl – B at topological distance 1 |

3408 | B01[Cl-Si] | Presence/absence of Cl – Si at topological distance 1 |

3409 | B01[Cl-X] | Presence/absence of Cl – X at topological distance 1 |

3410 | B01[Br-Br] | Presence/absence of Br – Br at topological distance 1 |

3411 | B01[Br-I] | Presence/absence of Br – I at topological distance 1 |

3412 | B01[Br-B] | Presence/absence of Br – B at topological distance 1 |

3413 | B01[Br-Si] | Presence/absence of Br – Si at topological distance 1 |

3414 | B01[Br-X] | Presence/absence of Br – X at topological distance 1 |

3415 | B01[I-I] | Presence/absence of I – I at topological distance 1 |

3416 | B01[I-B] | Presence/absence of I – B at topological distance 1 |

3417 | B01[I-Si] | Presence/absence of I – Si at topological distance 1 |

3418 | B01[I-X] | Presence/absence of I – X at topological distance 1 |

3419 | B01[B-B] | Presence/absence of B – B at topological distance 1 |

3420 | B01[B-Si] | Presence/absence of B – Si at topological distance 1 |

3421 | B01[B-X] | Presence/absence of B – X at topological distance 1 |

3422 | B01[Si-Si] | Presence/absence of Si – Si at topological distance 1 |

3423 | B01[Si-X] | Presence/absence of Si – X at topological distance 1 |

3424 | B01[X-X] | Presence/absence of X – X at topological distance 1 |

3425 | B02[C-C] | Presence/absence of C – C at topological distance 2 |

3426 | B02[C-N] | Presence/absence of C – N at topological distance 2 |

3427 | B02[C-O] | Presence/absence of C – O at topological distance 2 |

3428 | B02[C-S] | Presence/absence of C – S at topological distance 2 |

3429 | B02[C-P] | Presence/absence of C – P at topological distance 2 |

3430 | B02[C-F] | Presence/absence of C – F at topological distance 2 |

3431 | B02[C-Cl] | Presence/absence of C – Cl at topological distance 2 |

3432 | B02[C-Br] | Presence/absence of C – Br at topological distance 2 |

3433 | B02[C-I] | Presence/absence of C – I at topological distance 2 |

3434 | B02[C-B] | Presence/absence of C – B at topological distance 2 |

3435 | B02[C-Si] | Presence/absence of C – Si at topological distance 2 |

3436 | B02[C-X] | Presence/absence of C – X at topological distance 2 |

3437 | B02[N-N] | Presence/absence of N – N at topological distance 2 |

3438 | B02[N-O] | Presence/absence of N – O at topological distance 2 |

3439 | B02[N-S] | Presence/absence of N – S at topological distance 2 |

3440 | B02[N-P] | Presence/absence of N – P at topological distance 2 |

3441 | B02[N-F] | Presence/absence of N – F at topological distance 2 |

3442 | B02[N-Cl] | Presence/absence of N – Cl at topological distance 2 |

3443 | B02[N-Br] | Presence/absence of N – Br at topological distance 2 |

3444 | B02[N-I] | Presence/absence of N – I at topological distance 2 |

3445 | B02[N-B] | Presence/absence of N – B at topological distance 2 |

3446 | B02[N-Si] | Presence/absence of N – Si at topological distance 2 |

3447 | B02[N-X] | Presence/absence of N – X at topological distance 2 |

3448 | B02[O-O] | Presence/absence of O – O at topological distance 2 |

3449 | B02[O-S] | Presence/absence of O – S at topological distance 2 |

3450 | B02[O-P] | Presence/absence of O – P at topological distance 2 |

3451 | B02[O-F] | Presence/absence of O – F at topological distance 2 |

3452 | B02[O-Cl] | Presence/absence of O – Cl at topological distance 2 |

3453 | B02[O-Br] | Presence/absence of O – Br at topological distance 2 |

3454 | B02[O-I] | Presence/absence of O – I at topological distance 2 |

3455 | B02[O-B] | Presence/absence of O – B at topological distance 2 |

3456 | B02[O-Si] | Presence/absence of O – Si at topological distance 2 |

3457 | B02[O-X] | Presence/absence of O – X at topological distance 2 |

3458 | B02[S-S] | Presence/absence of S – S at topological distance 2 |

3459 | B02[S-P] | Presence/absence of S – P at topological distance 2 |

3460 | B02[S-F] | Presence/absence of S – F at topological distance 2 |

3461 | B02[S-Cl] | Presence/absence of S – Cl at topological distance 2 |

3462 | B02[S-Br] | Presence/absence of S – Br at topological distance 2 |

3463 | B02[S-I] | Presence/absence of S – I at topological distance 2 |

3464 | B02[S-B] | Presence/absence of S – B at topological distance 2 |

3465 | B02[S-Si] | Presence/absence of S – Si at topological distance 2 |

3466 | B02[S-X] | Presence/absence of S – X at topological distance 2 |

3467 | B02[P-P] | Presence/absence of P – P at topological distance 2 |

3468 | B02[P-F] | Presence/absence of P – F at topological distance 2 |

3469 | B02[P-Cl] | Presence/absence of P – Cl at topological distance 2 |

3470 | B02[P-Br] | Presence/absence of P – Br at topological distance 2 |

3471 | B02[P-I] | Presence/absence of P – I at topological distance 2 |

3472 | B02[P-B] | Presence/absence of P – B at topological distance 2 |

3473 | B02[P-Si] | Presence/absence of P – Si at topological distance 2 |

3474 | B02[P-X] | Presence/absence of P – X at topological distance 2 |

3475 | B02[F-F] | Presence/absence of F – F at topological distance 2 |

3476 | B02[F-Cl] | Presence/absence of F – Cl at topological distance 2 |

3477 | B02[F-Br] | Presence/absence of F – Br at topological distance 2 |

3478 | B02[F-I] | Presence/absence of F – I at topological distance 2 |

3479 | B02[F-B] | Presence/absence of F – B at topological distance 2 |

3480 | B02[F-Si] | Presence/absence of F – Si at topological distance 2 |

3481 | B02[F-X] | Presence/absence of F – X at topological distance 2 |

3482 | B02[Cl-Cl] | Presence/absence of Cl – Cl at topological distance 2 |

3483 | B02[Cl-Br] | Presence/absence of Cl – Br at topological distance 2 |

3484 | B02[Cl-I] | Presence/absence of Cl – I at topological distance 2 |

3485 | B02[Cl-B] | Presence/absence of Cl – B at topological distance 2 |

3486 | B02[Cl-Si] | Presence/absence of Cl – Si at topological distance 2 |

3487 | B02[Cl-X] | Presence/absence of Cl – X at topological distance 2 |

3488 | B02[Br-Br] | Presence/absence of Br – Br at topological distance 2 |

3489 | B02[Br-I] | Presence/absence of Br – I at topological distance 2 |

3490 | B02[Br-B] | Presence/absence of Br – B at topological distance 2 |

3491 | B02[Br-Si] | Presence/absence of Br – Si at topological distance 2 |

3492 | B02[Br-X] | Presence/absence of Br – X at topological distance 2 |

3493 | B02[I-I] | Presence/absence of I – I at topological distance 2 |

3494 | B02[I-B] | Presence/absence of I – B at topological distance 2 |

3495 | B02[I-Si] | Presence/absence of I – Si at topological distance 2 |

3496 | B02[I-X] | Presence/absence of I – X at topological distance 2 |

3497 | B02[B-B] | Presence/absence of B – B at topological distance 2 |

3498 | B02[B-Si] | Presence/absence of B – Si at topological distance 2 |

3499 | B02[B-X] | Presence/absence of B – X at topological distance 2 |

3500 | B02[Si-Si] | Presence/absence of Si – Si at topological distance 2 |

3501 | B02[Si-X] | Presence/absence of Si – X at topological distance 2 |

3502 | B02[X-X] | Presence/absence of X – X at topological distance 2 |

3503 | B03[C-C] | Presence/absence of C – C at topological distance 3 |

3504 | B03[C-N] | Presence/absence of C – N at topological distance 3 |

3505 | B03[C-O] | Presence/absence of C – O at topological distance 3 |

3506 | B03[C-S] | Presence/absence of C – S at topological distance 3 |

3507 | B03[C-P] | Presence/absence of C – P at topological distance 3 |

3508 | B03[C-F] | Presence/absence of C – F at topological distance 3 |

3509 | B03[C-Cl] | Presence/absence of C – Cl at topological distance 3 |

3510 | B03[C-Br] | Presence/absence of C – Br at topological distance 3 |

3511 | B03[C-I] | Presence/absence of C – I at topological distance 3 |

3512 | B03[C-B] | Presence/absence of C – B at topological distance 3 |

3513 | B03[C-Si] | Presence/absence of C – Si at topological distance 3 |

3514 | B03[C-X] | Presence/absence of C – X at topological distance 3 |

3515 | B03[N-N] | Presence/absence of N – N at topological distance 3 |

3516 | B03[N-O] | Presence/absence of N – O at topological distance 3 |

3517 | B03[N-S] | Presence/absence of N – S at topological distance 3 |

3518 | B03[N-P] | Presence/absence of N – P at topological distance 3 |

3519 | B03[N-F] | Presence/absence of N – F at topological distance 3 |

3520 | B03[N-Cl] | Presence/absence of N – Cl at topological distance 3 |

3521 | B03[N-Br] | Presence/absence of N – Br at topological distance 3 |

3522 | B03[N-I] | Presence/absence of N – I at topological distance 3 |

3523 | B03[N-B] | Presence/absence of N – B at topological distance 3 |

3524 | B03[N-Si] | Presence/absence of N – Si at topological distance 3 |

3525 | B03[N-X] | Presence/absence of N – X at topological distance 3 |

3526 | B03[O-O] | Presence/absence of O – O at topological distance 3 |

3527 | B03[O-S] | Presence/absence of O – S at topological distance 3 |

3528 | B03[O-P] | Presence/absence of O – P at topological distance 3 |

3529 | B03[O-F] | Presence/absence of O – F at topological distance 3 |

3530 | B03[O-Cl] | Presence/absence of O – Cl at topological distance 3 |

3531 | B03[O-Br] | Presence/absence of O – Br at topological distance 3 |

3532 | B03[O-I] | Presence/absence of O – I at topological distance 3 |

3533 | B03[O-B] | Presence/absence of O – B at topological distance 3 |

3534 | B03[O-Si] | Presence/absence of O – Si at topological distance 3 |

3535 | B03[O-X] | Presence/absence of O – X at topological distance 3 |

3536 | B03[S-S] | Presence/absence of S – S at topological distance 3 |

3537 | B03[S-P] | Presence/absence of S – P at topological distance 3 |

3538 | B03[S-F] | Presence/absence of S – F at topological distance 3 |

3539 | B03[S-Cl] | Presence/absence of S – Cl at topological distance 3 |

3540 | B03[S-Br] | Presence/absence of S – Br at topological distance 3 |

3541 | B03[S-I] | Presence/absence of S – I at topological distance 3 |

3542 | B03[S-B] | Presence/absence of S – B at topological distance 3 |

3543 | B03[S-Si] | Presence/absence of S – Si at topological distance 3 |

3544 | B03[S-X] | Presence/absence of S – X at topological distance 3 |

3545 | B03[P-P] | Presence/absence of P – P at topological distance 3 |

3546 | B03[P-F] | Presence/absence of P – F at topological distance 3 |

3547 | B03[P-Cl] | Presence/absence of P – Cl at topological distance 3 |

3548 | B03[P-Br] | Presence/absence of P – Br at topological distance 3 |

3549 | B03[P-I] | Presence/absence of P – I at topological distance 3 |

3550 | B03[P-B] | Presence/absence of P – B at topological distance 3 |

3551 | B03[P-Si] | Presence/absence of P – Si at topological distance 3 |

3552 | B03[P-X] | Presence/absence of P – X at topological distance 3 |

3553 | B03[F-F] | Presence/absence of F – F at topological distance 3 |

3554 | B03[F-Cl] | Presence/absence of F – Cl at topological distance 3 |

3555 | B03[F-Br] | Presence/absence of F – Br at topological distance 3 |

3556 | B03[F-I] | Presence/absence of F – I at topological distance 3 |

3557 | B03[F-B] | Presence/absence of F – B at topological distance 3 |

3558 | B03[F-Si] | Presence/absence of F – Si at topological distance 3 |

3559 | B03[F-X] | Presence/absence of F – X at topological distance 3 |

3560 | B03[Cl-Cl] | Presence/absence of Cl – Cl at topological distance 3 |

3561 | B03[Cl-Br] | Presence/absence of Cl – Br at topological distance 3 |

3562 | B03[Cl-I] | Presence/absence of Cl – I at topological distance 3 |

3563 | B03[Cl-B] | Presence/absence of Cl – B at topological distance 3 |

3564 | B03[Cl-Si] | Presence/absence of Cl – Si at topological distance 3 |

3565 | B03[Cl-X] | Presence/absence of Cl – X at topological distance 3 |

3566 | B03[Br-Br] | Presence/absence of Br – Br at topological distance 3 |

3567 | B03[Br-I] | Presence/absence of Br – I at topological distance 3 |

3568 | B03[Br-B] | Presence/absence of Br – B at topological distance 3 |

3569 | B03[Br-Si] | Presence/absence of Br – Si at topological distance 3 |

3570 | B03[Br-X] | Presence/absence of Br – X at topological distance 3 |

3571 | B03[I-I] | Presence/absence of I – I at topological distance 3 |

3572 | B03[I-B] | Presence/absence of I – B at topological distance 3 |

3573 | B03[I-Si] | Presence/absence of I – Si at topological distance 3 |

3574 | B03[I-X] | Presence/absence of I – X at topological distance 3 |

3575 | B03[B-B] | Presence/absence of B – B at topological distance 3 |

3576 | B03[B-Si] | Presence/absence of B – Si at topological distance 3 |

3577 | B03[B-X] | Presence/absence of B – X at topological distance 3 |

3578 | B03[Si-Si] | Presence/absence of Si – Si at topological distance 3 |

3579 | B03[Si-X] | Presence/absence of Si – X at topological distance 3 |

3580 | B03[X-X] | Presence/absence of X – X at topological distance 3 |

3581 | B04[C-C] | Presence/absence of C – C at topological distance 4 |

3582 | B04[C-N] | Presence/absence of C – N at topological distance 4 |

3583 | B04[C-O] | Presence/absence of C – O at topological distance 4 |

3584 | B04[C-S] | Presence/absence of C – S at topological distance 4 |

3585 | B04[C-P] | Presence/absence of C – P at topological distance 4 |

3586 | B04[C-F] | Presence/absence of C – F at topological distance 4 |

3587 | B04[C-Cl] | Presence/absence of C – Cl at topological distance 4 |

3588 | B04[C-Br] | Presence/absence of C – Br at topological distance 4 |

3589 | B04[C-I] | Presence/absence of C – I at topological distance 4 |

3590 | B04[C-B] | Presence/absence of C – B at topological distance 4 |

3591 | B04[C-Si] | Presence/absence of C – Si at topological distance 4 |

3592 | B04[C-X] | Presence/absence of C – X at topological distance 4 |

3593 | B04[N-N] | Presence/absence of N – N at topological distance 4 |

3594 | B04[N-O] | Presence/absence of N – O at topological distance 4 |

3595 | B04[N-S] | Presence/absence of N – S at topological distance 4 |

3596 | B04[N-P] | Presence/absence of N – P at topological distance 4 |

3597 | B04[N-F] | Presence/absence of N – F at topological distance 4 |

3598 | B04[N-Cl] | Presence/absence of N – Cl at topological distance 4 |

3599 | B04[N-Br] | Presence/absence of N – Br at topological distance 4 |

3600 | B04[N-I] | Presence/absence of N – I at topological distance 4 |

3601 | B04[N-B] | Presence/absence of N – B at topological distance 4 |

3602 | B04[N-Si] | Presence/absence of N – Si at topological distance 4 |

3603 | B04[N-X] | Presence/absence of N – X at topological distance 4 |

3604 | B04[O-O] | Presence/absence of O – O at topological distance 4 |

3605 | B04[O-S] | Presence/absence of O – S at topological distance 4 |

3606 | B04[O-P] | Presence/absence of O – P at topological distance 4 |

3607 | B04[O-F] | Presence/absence of O – F at topological distance 4 |

3608 | B04[O-Cl] | Presence/absence of O – Cl at topological distance 4 |

3609 | B04[O-Br] | Presence/absence of O – Br at topological distance 4 |

3610 | B04[O-I] | Presence/absence of O – I at topological distance 4 |

3611 | B04[O-B] | Presence/absence of O – B at topological distance 4 |

3612 | B04[O-Si] | Presence/absence of O – Si at topological distance 4 |

3613 | B04[O-X] | Presence/absence of O – X at topological distance 4 |

3614 | B04[S-S] | Presence/absence of S – S at topological distance 4 |

3615 | B04[S-P] | Presence/absence of S – P at topological distance 4 |

3616 | B04[S-F] | Presence/absence of S – F at topological distance 4 |

3617 | B04[S-Cl] | Presence/absence of S – Cl at topological distance 4 |

3618 | B04[S-Br] | Presence/absence of S – Br at topological distance 4 |

3619 | B04[S-I] | Presence/absence of S – I at topological distance 4 |

3620 | B04[S-B] | Presence/absence of S – B at topological distance 4 |

3621 | B04[S-Si] | Presence/absence of S – Si at topological distance 4 |

3622 | B04[S-X] | Presence/absence of S – X at topological distance 4 |

3623 | B04[P-P] | Presence/absence of P – P at topological distance 4 |

3624 | B04[P-F] | Presence/absence of P – F at topological distance 4 |

3625 | B04[P-Cl] | Presence/absence of P – Cl at topological distance 4 |

3626 | B04[P-Br] | Presence/absence of P – Br at topological distance 4 |

3627 | B04[P-I] | Presence/absence of P – I at topological distance 4 |

3628 | B04[P-B] | Presence/absence of P – B at topological distance 4 |

3629 | B04[P-Si] | Presence/absence of P – Si at topological distance 4 |

3630 | B04[P-X] | Presence/absence of P – X at topological distance 4 |

3631 | B04[F-F] | Presence/absence of F – F at topological distance 4 |

3632 | B04[F-Cl] | Presence/absence of F – Cl at topological distance 4 |

3633 | B04[F-Br] | Presence/absence of F – Br at topological distance 4 |

3634 | B04[F-I] | Presence/absence of F – I at topological distance 4 |

3635 | B04[F-B] | Presence/absence of F – B at topological distance 4 |

3636 | B04[F-Si] | Presence/absence of F – Si at topological distance 4 |

3637 | B04[F-X] | Presence/absence of F – X at topological distance 4 |

3638 | B04[Cl-Cl] | Presence/absence of Cl – Cl at topological distance 4 |

3639 | B04[Cl-Br] | Presence/absence of Cl – Br at topological distance 4 |

3640 | B04[Cl-I] | Presence/absence of Cl – I at topological distance 4 |

3641 | B04[Cl-B] | Presence/absence of Cl – B at topological distance 4 |

3642 | B04[Cl-Si] | Presence/absence of Cl – Si at topological distance 4 |

3643 | B04[Cl-X] | Presence/absence of Cl – X at topological distance 4 |

3644 | B04[Br-Br] | Presence/absence of Br – Br at topological distance 4 |

3645 | B04[Br-I] | Presence/absence of Br – I at topological distance 4 |

3646 | B04[Br-B] | Presence/absence of Br – B at topological distance 4 |

3647 | B04[Br-Si] | Presence/absence of Br – Si at topological distance 4 |

3648 | B04[Br-X] | Presence/absence of Br – X at topological distance 4 |

3649 | B04[I-I] | Presence/absence of I – I at topological distance 4 |

3650 | B04[I-B] | Presence/absence of I – B at topological distance 4 |

3651 | B04[I-Si] | Presence/absence of I – Si at topological distance 4 |

3652 | B04[I-X] | Presence/absence of I – X at topological distance 4 |

3653 | B04[B-B] | Presence/absence of B – B at topological distance 4 |

3654 | B04[B-Si] | Presence/absence of B – Si at topological distance 4 |

3655 | B04[B-X] | Presence/absence of B – X at topological distance 4 |

3656 | B04[Si-Si] | Presence/absence of Si – Si at topological distance 4 |

3657 | B04[Si-X] | Presence/absence of Si – X at topological distance 4 |

3658 | B04[X-X] | Presence/absence of X – X at topological distance 4 |

3659 | B05[C-C] | Presence/absence of C – C at topological distance 5 |

3660 | B05[C-N] | Presence/absence of C – N at topological distance 5 |

3661 | B05[C-O] | Presence/absence of C – O at topological distance 5 |

3662 | B05[C-S] | Presence/absence of C – S at topological distance 5 |

3663 | B05[C-P] | Presence/absence of C – P at topological distance 5 |

3664 | B05[C-F] | Presence/absence of C – F at topological distance 5 |

3665 | B05[C-Cl] | Presence/absence of C – Cl at topological distance 5 |

3666 | B05[C-Br] | Presence/absence of C – Br at topological distance 5 |

3667 | B05[C-I] | Presence/absence of C – I at topological distance 5 |

3668 | B05[C-B] | Presence/absence of C – B at topological distance 5 |

3669 | B05[C-Si] | Presence/absence of C – Si at topological distance 5 |

3670 | B05[C-X] | Presence/absence of C – X at topological distance 5 |

3671 | B05[N-N] | Presence/absence of N – N at topological distance 5 |

3672 | B05[N-O] | Presence/absence of N – O at topological distance 5 |

3673 | B05[N-S] | Presence/absence of N – S at topological distance 5 |

3674 | B05[N-P] | Presence/absence of N – P at topological distance 5 |

3675 | B05[N-F] | Presence/absence of N – F at topological distance 5 |

3676 | B05[N-Cl] | Presence/absence of N – Cl at topological distance 5 |

3677 | B05[N-Br] | Presence/absence of N – Br at topological distance 5 |

3678 | B05[N-I] | Presence/absence of N – I at topological distance 5 |

3679 | B05[N-B] | Presence/absence of N – B at topological distance 5 |

3680 | B05[N-Si] | Presence/absence of N – Si at topological distance 5 |

3681 | B05[N-X] | Presence/absence of N – X at topological distance 5 |

3682 | B05[O-O] | Presence/absence of O – O at topological distance 5 |

3683 | B05[O-S] | Presence/absence of O – S at topological distance 5 |

3684 | B05[O-P] | Presence/absence of O – P at topological distance 5 |

3685 | B05[O-F] | Presence/absence of O – F at topological distance 5 |

3686 | B05[O-Cl] | Presence/absence of O – Cl at topological distance 5 |

3687 | B05[O-Br] | Presence/absence of O – Br at topological distance 5 |

3688 | B05[O-I] | Presence/absence of O – I at topological distance 5 |

3689 | B05[O-B] | Presence/absence of O – B at topological distance 5 |

3690 | B05[O-Si] | Presence/absence of O – Si at topological distance 5 |

3691 | B05[O-X] | Presence/absence of O – X at topological distance 5 |

3692 | B05[S-S] | Presence/absence of S – S at topological distance 5 |

3693 | B05[S-P] | Presence/absence of S – P at topological distance 5 |

3694 | B05[S-F] | Presence/absence of S – F at topological distance 5 |

3695 | B05[S-Cl] | Presence/absence of S – Cl at topological distance 5 |

3696 | B05[S-Br] | Presence/absence of S – Br at topological distance 5 |

3697 | B05[S-I] | Presence/absence of S – I at topological distance 5 |

3698 | B05[S-B] | Presence/absence of S – B at topological distance 5 |

3699 | B05[S-Si] | Presence/absence of S – Si at topological distance 5 |

3700 | B05[S-X] | Presence/absence of S – X at topological distance 5 |

3701 | B05[P-P] | Presence/absence of P – P at topological distance 5 |

3702 | B05[P-F] | Presence/absence of P – F at topological distance 5 |

3703 | B05[P-Cl] | Presence/absence of P – Cl at topological distance 5 |

3704 | B05[P-Br] | Presence/absence of P – Br at topological distance 5 |

3705 | B05[P-I] | Presence/absence of P – I at topological distance 5 |

3706 | B05[P-B] | Presence/absence of P – B at topological distance 5 |

3707 | B05[P-Si] | Presence/absence of P – Si at topological distance 5 |

3708 | B05[P-X] | Presence/absence of P – X at topological distance 5 |

3709 | B05[F-F] | Presence/absence of F – F at topological distance 5 |

3710 | B05[F-Cl] | Presence/absence of F – Cl at topological distance 5 |

3711 | B05[F-Br] | Presence/absence of F – Br at topological distance 5 |

3712 | B05[F-I] | Presence/absence of F – I at topological distance 5 |

3713 | B05[F-B] | Presence/absence of F – B at topological distance 5 |

3714 | B05[F-Si] | Presence/absence of F – Si at topological distance 5 |

3715 | B05[F-X] | Presence/absence of F – X at topological distance 5 |

3716 | B05[Cl-Cl] | Presence/absence of Cl – Cl at topological distance 5 |

3717 | B05[Cl-Br] | Presence/absence of Cl – Br at topological distance 5 |

3718 | B05[Cl-I] | Presence/absence of Cl – I at topological distance 5 |

3719 | B05[Cl-B] | Presence/absence of Cl – B at topological distance 5 |

3720 | B05[Cl-Si] | Presence/absence of Cl – Si at topological distance 5 |

3721 | B05[Cl-X] | Presence/absence of Cl – X at topological distance 5 |

3722 | B05[Br-Br] | Presence/absence of Br – Br at topological distance 5 |

3723 | B05[Br-I] | Presence/absence of Br – I at topological distance 5 |

3724 | B05[Br-B] | Presence/absence of Br – B at topological distance 5 |

3725 | B05[Br-Si] | Presence/absence of Br – Si at topological distance 5 |

3726 | B05[Br-X] | Presence/absence of Br – X at topological distance 5 |

3727 | B05[I-I] | Presence/absence of I – I at topological distance 5 |

3728 | B05[I-B] | Presence/absence of I – B at topological distance 5 |

3729 | B05[I-Si] | Presence/absence of I – Si at topological distance 5 |

3730 | B05[I-X] | Presence/absence of I – X at topological distance 5 |

3731 | B05[B-B] | Presence/absence of B – B at topological distance 5 |

3732 | B05[B-Si] | Presence/absence of B – Si at topological distance 5 |

3733 | B05[B-X] | Presence/absence of B – X at topological distance 5 |

3734 | B05[Si-Si] | Presence/absence of Si – Si at topological distance 5 |

3735 | B05[Si-X] | Presence/absence of Si – X at topological distance 5 |

3736 | B05[X-X] | Presence/absence of X – X at topological distance 5 |

3737 | B06[C-C] | Presence/absence of C – C at topological distance 6 |

3738 | B06[C-N] | Presence/absence of C – N at topological distance 6 |

3739 | B06[C-O] | Presence/absence of C – O at topological distance 6 |

3740 | B06[C-S] | Presence/absence of C – S at topological distance 6 |

3741 | B06[C-P] | Presence/absence of C – P at topological distance 6 |

3742 | B06[C-F] | Presence/absence of C – F at topological distance 6 |

3743 | B06[C-Cl] | Presence/absence of C – Cl at topological distance 6 |

3744 | B06[C-Br] | Presence/absence of C – Br at topological distance 6 |

3745 | B06[C-I] | Presence/absence of C – I at topological distance 6 |

3746 | B06[C-B] | Presence/absence of C – B at topological distance 6 |

3747 | B06[C-Si] | Presence/absence of C – Si at topological distance 6 |

3748 | B06[C-X] | Presence/absence of C – X at topological distance 6 |

3749 | B06[N-N] | Presence/absence of N – N at topological distance 6 |

3750 | B06[N-O] | Presence/absence of N – O at topological distance 6 |

3751 | B06[N-S] | Presence/absence of N – S at topological distance 6 |

3752 | B06[N-P] | Presence/absence of N – P at topological distance 6 |

3753 | B06[N-F] | Presence/absence of N – F at topological distance 6 |

3754 | B06[N-Cl] | Presence/absence of N – Cl at topological distance 6 |

3755 | B06[N-Br] | Presence/absence of N – Br at topological distance 6 |

3756 | B06[N-I] | Presence/absence of N – I at topological distance 6 |

3757 | B06[N-B] | Presence/absence of N – B at topological distance 6 |

3758 | B06[N-Si] | Presence/absence of N – Si at topological distance 6 |

3759 | B06[N-X] | Presence/absence of N – X at topological distance 6 |

3760 | B06[O-O] | Presence/absence of O – O at topological distance 6 |

3761 | B06[O-S] | Presence/absence of O – S at topological distance 6 |

3762 | B06[O-P] | Presence/absence of O – P at topological distance 6 |

3763 | B06[O-F] | Presence/absence of O – F at topological distance 6 |

3764 | B06[O-Cl] | Presence/absence of O – Cl at topological distance 6 |

3765 | B06[O-Br] | Presence/absence of O – Br at topological distance 6 |

3766 | B06[O-I] | Presence/absence of O – I at topological distance 6 |

3767 | B06[O-B] | Presence/absence of O – B at topological distance 6 |

3768 | B06[O-Si] | Presence/absence of O – Si at topological distance 6 |

3769 | B06[O-X] | Presence/absence of O – X at topological distance 6 |

3770 | B06[S-S] | Presence/absence of S – S at topological distance 6 |

3771 | B06[S-P] | Presence/absence of S – P at topological distance 6 |

3772 | B06[S-F] | Presence/absence of S – F at topological distance 6 |

3773 | B06[S-Cl] | Presence/absence of S – Cl at topological distance 6 |

3774 | B06[S-Br] | Presence/absence of S – Br at topological distance 6 |

3775 | B06[S-I] | Presence/absence of S – I at topological distance 6 |

3776 | B06[S-B] | Presence/absence of S – B at topological distance 6 |

3777 | B06[S-Si] | Presence/absence of S – Si at topological distance 6 |

3778 | B06[S-X] | Presence/absence of S – X at topological distance 6 |

3779 | B06[P-P] | Presence/absence of P – P at topological distance 6 |

3780 | B06[P-F] | Presence/absence of P – F at topological distance 6 |

3781 | B06[P-Cl] | Presence/absence of P – Cl at topological distance 6 |

3782 | B06[P-Br] | Presence/absence of P – Br at topological distance 6 |

3783 | B06[P-I] | Presence/absence of P – I at topological distance 6 |

3784 | B06[P-B] | Presence/absence of P – B at topological distance 6 |

3785 | B06[P-Si] | Presence/absence of P – Si at topological distance 6 |

3786 | B06[P-X] | Presence/absence of P – X at topological distance 6 |

3787 | B06[F-F] | Presence/absence of F – F at topological distance 6 |

3788 | B06[F-Cl] | Presence/absence of F – Cl at topological distance 6 |

3789 | B06[F-Br] | Presence/absence of F – Br at topological distance 6 |

3790 | B06[F-I] | Presence/absence of F – I at topological distance 6 |

3791 | B06[F-B] | Presence/absence of F – B at topological distance 6 |

3792 | B06[F-Si] | Presence/absence of F – Si at topological distance 6 |

3793 | B06[F-X] | Presence/absence of F – X at topological distance 6 |

3794 | B06[Cl-Cl] | Presence/absence of Cl – Cl at topological distance 6 |

3795 | B06[Cl-Br] | Presence/absence of Cl – Br at topological distance 6 |

3796 | B06[Cl-I] | Presence/absence of Cl – I at topological distance 6 |

3797 | B06[Cl-B] | Presence/absence of Cl – B at topological distance 6 |

3798 | B06[Cl-Si] | Presence/absence of Cl – Si at topological distance 6 |

3799 | B06[Cl-X] | Presence/absence of Cl – X at topological distance 6 |

3800 | B06[Br-Br] | Presence/absence of Br – Br at topological distance 6 |

3801 | B06[Br-I] | Presence/absence of Br – I at topological distance 6 |

3802 | B06[Br-B] | Presence/absence of Br – B at topological distance 6 |

3803 | B06[Br-Si] | Presence/absence of Br – Si at topological distance 6 |

3804 | B06[Br-X] | Presence/absence of Br – X at topological distance 6 |

3805 | B06[I-I] | Presence/absence of I – I at topological distance 6 |

3806 | B06[I-B] | Presence/absence of I – B at topological distance 6 |

3807 | B06[I-Si] | Presence/absence of I – Si at topological distance 6 |

3808 | B06[I-X] | Presence/absence of I – X at topological distance 6 |

3809 | B06[B-B] | Presence/absence of B – B at topological distance 6 |

3810 | B06[B-Si] | Presence/absence of B – Si at topological distance 6 |

3811 | B06[B-X] | Presence/absence of B – X at topological distance 6 |

3812 | B06[Si-Si] | Presence/absence of Si – Si at topological distance 6 |

3813 | B06[Si-X] | Presence/absence of Si – X at topological distance 6 |

3814 | B06[X-X] | Presence/absence of X – X at topological distance 6 |

3815 | B07[C-C] | Presence/absence of C – C at topological distance 7 |

3816 | B07[C-N] | Presence/absence of C – N at topological distance 7 |

3817 | B07[C-O] | Presence/absence of C – O at topological distance 7 |

3818 | B07[C-S] | Presence/absence of C – S at topological distance 7 |

3819 | B07[C-P] | Presence/absence of C – P at topological distance 7 |

3820 | B07[C-F] | Presence/absence of C – F at topological distance 7 |

3821 | B07[C-Cl] | Presence/absence of C – Cl at topological distance 7 |

3822 | B07[C-Br] | Presence/absence of C – Br at topological distance 7 |

3823 | B07[C-I] | Presence/absence of C – I at topological distance 7 |

3824 | B07[C-B] | Presence/absence of C – B at topological distance 7 |

3825 | B07[C-Si] | Presence/absence of C – Si at topological distance 7 |

3826 | B07[C-X] | Presence/absence of C – X at topological distance 7 |

3827 | B07[N-N] | Presence/absence of N – N at topological distance 7 |

3828 | B07[N-O] | Presence/absence of N – O at topological distance 7 |

3829 | B07[N-S] | Presence/absence of N – S at topological distance 7 |

3830 | B07[N-P] | Presence/absence of N – P at topological distance 7 |

3831 | B07[N-F] | Presence/absence of N – F at topological distance 7 |

3832 | B07[N-Cl] | Presence/absence of N – Cl at topological distance 7 |

3833 | B07[N-Br] | Presence/absence of N – Br at topological distance 7 |

3834 | B07[N-I] | Presence/absence of N – I at topological distance 7 |

3835 | B07[N-B] | Presence/absence of N – B at topological distance 7 |

3836 | B07[N-Si] | Presence/absence of N – Si at topological distance 7 |

3837 | B07[N-X] | Presence/absence of N – X at topological distance 7 |

3838 | B07[O-O] | Presence/absence of O – O at topological distance 7 |

3839 | B07[O-S] | Presence/absence of O – S at topological distance 7 |

3840 | B07[O-P] | Presence/absence of O – P at topological distance 7 |

3841 | B07[O-F] | Presence/absence of O – F at topological distance 7 |

3842 | B07[O-Cl] | Presence/absence of O – Cl at topological distance 7 |

3843 | B07[O-Br] | Presence/absence of O – Br at topological distance 7 |

3844 | B07[O-I] | Presence/absence of O – I at topological distance 7 |

3845 | B07[O-B] | Presence/absence of O – B at topological distance 7 |

3846 | B07[O-Si] | Presence/absence of O – Si at topological distance 7 |

3847 | B07[O-X] | Presence/absence of O – X at topological distance 7 |

3848 | B07[S-S] | Presence/absence of S – S at topological distance 7 |

3849 | B07[S-P] | Presence/absence of S – P at topological distance 7 |

3850 | B07[S-F] | Presence/absence of S – F at topological distance 7 |

3851 | B07[S-Cl] | Presence/absence of S – Cl at topological distance 7 |

3852 | B07[S-Br] | Presence/absence of S – Br at topological distance 7 |

3853 | B07[S-I] | Presence/absence of S – I at topological distance 7 |

3854 | B07[S-B] | Presence/absence of S – B at topological distance 7 |

3855 | B07[S-Si] | Presence/absence of S – Si at topological distance 7 |

3856 | B07[S-X] | Presence/absence of S – X at topological distance 7 |

3857 | B07[P-P] | Presence/absence of P – P at topological distance 7 |

3858 | B07[P-F] | Presence/absence of P – F at topological distance 7 |

3859 | B07[P-Cl] | Presence/absence of P – Cl at topological distance 7 |

3860 | B07[P-Br] | Presence/absence of P – Br at topological distance 7 |

3861 | B07[P-I] | Presence/absence of P – I at topological distance 7 |

3862 | B07[P-B] | Presence/absence of P – B at topological distance 7 |

3863 | B07[P-Si] | Presence/absence of P – Si at topological distance 7 |

3864 | B07[P-X] | Presence/absence of P – X at topological distance 7 |

3865 | B07[F-F] | Presence/absence of F – F at topological distance 7 |

3866 | B07[F-Cl] | Presence/absence of F – Cl at topological distance 7 |

3867 | B07[F-Br] | Presence/absence of F – Br at topological distance 7 |

3868 | B07[F-I] | Presence/absence of F – I at topological distance 7 |

3869 | B07[F-B] | Presence/absence of F – B at topological distance 7 |

3870 | B07[F-Si] | Presence/absence of F – Si at topological distance 7 |

3871 | B07[F-X] | Presence/absence of F – X at topological distance 7 |

3872 | B07[Cl-Cl] | Presence/absence of Cl – Cl at topological distance 7 |

3873 | B07[Cl-Br] | Presence/absence of Cl – Br at topological distance 7 |

3874 | B07[Cl-I] | Presence/absence of Cl – I at topological distance 7 |

3875 | B07[Cl-B] | Presence/absence of Cl – B at topological distance 7 |

3876 | B07[Cl-Si] | Presence/absence of Cl – Si at topological distance 7 |

3877 | B07[Cl-X] | Presence/absence of Cl – X at topological distance 7 |

3878 | B07[Br-Br] | Presence/absence of Br – Br at topological distance 7 |

3879 | B07[Br-I] | Presence/absence of Br – I at topological distance 7 |

3880 | B07[Br-B] | Presence/absence of Br – B at topological distance 7 |

3881 | B07[Br-Si] | Presence/absence of Br – Si at topological distance 7 |

3882 | B07[Br-X] | Presence/absence of Br – X at topological distance 7 |

3883 | B07[I-I] | Presence/absence of I – I at topological distance 7 |

3884 | B07[I-B] | Presence/absence of I – B at topological distance 7 |

3885 | B07[I-Si] | Presence/absence of I – Si at topological distance 7 |

3886 | B07[I-X] | Presence/absence of I – X at topological distance 7 |

3887 | B07[B-B] | Presence/absence of B – B at topological distance 7 |

3888 | B07[B-Si] | Presence/absence of B – Si at topological distance 7 |

3889 | B07[B-X] | Presence/absence of B – X at topological distance 7 |

3890 | B07[Si-Si] | Presence/absence of Si – Si at topological distance 7 |

3891 | B07[Si-X] | Presence/absence of Si – X at topological distance 7 |

3892 | B07[X-X] | Presence/absence of X – X at topological distance 7 |

3893 | B08[C-C] | Presence/absence of C – C at topological distance 8 |

3894 | B08[C-N] | Presence/absence of C – N at topological distance 8 |

3895 | B08[C-O] | Presence/absence of C – O at topological distance 8 |

3896 | B08[C-S] | Presence/absence of C – S at topological distance 8 |

3897 | B08[C-P] | Presence/absence of C – P at topological distance 8 |

3898 | B08[C-F] | Presence/absence of C – F at topological distance 8 |

3899 | B08[C-Cl] | Presence/absence of C – Cl at topological distance 8 |

3900 | B08[C-Br] | Presence/absence of C – Br at topological distance 8 |

3901 | B08[C-I] | Presence/absence of C – I at topological distance 8 |

3902 | B08[C-B] | Presence/absence of C – B at topological distance 8 |

3903 | B08[C-Si] | Presence/absence of C – Si at topological distance 8 |

3904 | B08[C-X] | Presence/absence of C – X at topological distance 8 |

3905 | B08[N-N] | Presence/absence of N – N at topological distance 8 |

3906 | B08[N-O] | Presence/absence of N – O at topological distance 8 |

3907 | B08[N-S] | Presence/absence of N – S at topological distance 8 |

3908 | B08[N-P] | Presence/absence of N – P at topological distance 8 |

3909 | B08[N-F] | Presence/absence of N – F at topological distance 8 |

3910 | B08[N-Cl] | Presence/absence of N – Cl at topological distance 8 |

3911 | B08[N-Br] | Presence/absence of N – Br at topological distance 8 |

3912 | B08[N-I] | Presence/absence of N – I at topological distance 8 |

3913 | B08[N-B] | Presence/absence of N – B at topological distance 8 |

3914 | B08[N-Si] | Presence/absence of N – Si at topological distance 8 |

3915 | B08[N-X] | Presence/absence of N – X at topological distance 8 |

3916 | B08[O-O] | Presence/absence of O – O at topological distance 8 |

3917 | B08[O-S] | Presence/absence of O – S at topological distance 8 |

3918 | B08[O-P] | Presence/absence of O – P at topological distance 8 |

3919 | B08[O-F] | Presence/absence of O – F at topological distance 8 |

3920 | B08[O-Cl] | Presence/absence of O – Cl at topological distance 8 |

3921 | B08[O-Br] | Presence/absence of O – Br at topological distance 8 |

3922 | B08[O-I] | Presence/absence of O – I at topological distance 8 |

3923 | B08[O-B] | Presence/absence of O – B at topological distance 8 |

3924 | B08[O-Si] | Presence/absence of O – Si at topological distance 8 |

3925 | B08[O-X] | Presence/absence of O – X at topological distance 8 |

3926 | B08[S-S] | Presence/absence of S – S at topological distance 8 |

3927 | B08[S-P] | Presence/absence of S – P at topological distance 8 |

3928 | B08[S-F] | Presence/absence of S – F at topological distance 8 |

3929 | B08[S-Cl] | Presence/absence of S – Cl at topological distance 8 |

3930 | B08[S-Br] | Presence/absence of S – Br at topological distance 8 |

3931 | B08[S-I] | Presence/absence of S – I at topological distance 8 |

3932 | B08[S-B] | Presence/absence of S – B at topological distance 8 |

3933 | B08[S-Si] | Presence/absence of S – Si at topological distance 8 |

3934 | B08[S-X] | Presence/absence of S – X at topological distance 8 |

3935 | B08[P-P] | Presence/absence of P – P at topological distance 8 |

3936 | B08[P-F] | Presence/absence of P – F at topological distance 8 |

3937 | B08[P-Cl] | Presence/absence of P – Cl at topological distance 8 |

3938 | B08[P-Br] | Presence/absence of P – Br at topological distance 8 |

3939 | B08[P-I] | Presence/absence of P – I at topological distance 8 |

3940 | B08[P-B] | Presence/absence of P – B at topological distance 8 |

3941 | B08[P-Si] | Presence/absence of P – Si at topological distance 8 |

3942 | B08[P-X] | Presence/absence of P – X at topological distance 8 |

3943 | B08[F-F] | Presence/absence of F – F at topological distance 8 |

3944 | B08[F-Cl] | Presence/absence of F – Cl at topological distance 8 |

3945 | B08[F-Br] | Presence/absence of F – Br at topological distance 8 |

3946 | B08[F-I] | Presence/absence of F – I at topological distance 8 |

3947 | B08[F-B] | Presence/absence of F – B at topological distance 8 |

3948 | B08[F-Si] | Presence/absence of F – Si at topological distance 8 |

3949 | B08[F-X] | Presence/absence of F – X at topological distance 8 |

3950 | B08[Cl-Cl] | Presence/absence of Cl – Cl at topological distance 8 |

3951 | B08[Cl-Br] | Presence/absence of Cl – Br at topological distance 8 |

3952 | B08[Cl-I] | Presence/absence of Cl – I at topological distance 8 |

3953 | B08[Cl-B] | Presence/absence of Cl – B at topological distance 8 |

3954 | B08[Cl-Si] | Presence/absence of Cl – Si at topological distance 8 |

3955 | B08[Cl-X] | Presence/absence of Cl – X at topological distance 8 |

3956 | B08[Br-Br] | Presence/absence of Br – Br at topological distance 8 |

3957 | B08[Br-I] | Presence/absence of Br – I at topological distance 8 |

3958 | B08[Br-B] | Presence/absence of Br – B at topological distance 8 |

3959 | B08[Br-Si] | Presence/absence of Br – Si at topological distance 8 |

3960 | B08[Br-X] | Presence/absence of Br – X at topological distance 8 |

3961 | B08[I-I] | Presence/absence of I – I at topological distance 8 |

3962 | B08[I-B] | Presence/absence of I – B at topological distance 8 |

3963 | B08[I-Si] | Presence/absence of I – Si at topological distance 8 |

3964 | B08[I-X] | Presence/absence of I – X at topological distance 8 |

3965 | B08[B-B] | Presence/absence of B – B at topological distance 8 |

3966 | B08[B-Si] | Presence/absence of B – Si at topological distance 8 |

3967 | B08[B-X] | Presence/absence of B – X at topological distance 8 |

3968 | B08[Si-Si] | Presence/absence of Si – Si at topological distance 8 |

3969 | B08[Si-X] | Presence/absence of Si – X at topological distance 8 |

3970 | B08[X-X] | Presence/absence of X – X at topological distance 8 |

3971 | B09[C-C] | Presence/absence of C – C at topological distance 9 |

3972 | B09[C-N] | Presence/absence of C – N at topological distance 9 |

3973 | B09[C-O] | Presence/absence of C – O at topological distance 9 |

3974 | B09[C-S] | Presence/absence of C – S at topological distance 9 |

3975 | B09[C-P] | Presence/absence of C – P at topological distance 9 |

3976 | B09[C-F] | Presence/absence of C – F at topological distance 9 |

3977 | B09[C-Cl] | Presence/absence of C – Cl at topological distance 9 |

3978 | B09[C-Br] | Presence/absence of C – Br at topological distance 9 |

3979 | B09[C-I] | Presence/absence of C – I at topological distance 9 |

3980 | B09[C-B] | Presence/absence of C – B at topological distance 9 |

3981 | B09[C-Si] | Presence/absence of C – Si at topological distance 9 |

3982 | B09[C-X] | Presence/absence of C – X at topological distance 9 |

3983 | B09[N-N] | Presence/absence of N – N at topological distance 9 |

3984 | B09[N-O] | Presence/absence of N – O at topological distance 9 |

3985 | B09[N-S] | Presence/absence of N – S at topological distance 9 |

3986 | B09[N-P] | Presence/absence of N – P at topological distance 9 |

3987 | B09[N-F] | Presence/absence of N – F at topological distance 9 |

3988 | B09[N-Cl] | Presence/absence of N – Cl at topological distance 9 |

3989 | B09[N-Br] | Presence/absence of N – Br at topological distance 9 |

3990 | B09[N-I] | Presence/absence of N – I at topological distance 9 |

3991 | B09[N-B] | Presence/absence of N – B at topological distance 9 |

3992 | B09[N-Si] | Presence/absence of N – Si at topological distance 9 |

3993 | B09[N-X] | Presence/absence of N – X at topological distance 9 |

3994 | B09[O-O] | Presence/absence of O – O at topological distance 9 |

3995 | B09[O-S] | Presence/absence of O – S at topological distance 9 |

3996 | B09[O-P] | Presence/absence of O – P at topological distance 9 |

3997 | B09[O-F] | Presence/absence of O – F at topological distance 9 |

3998 | B09[O-Cl] | Presence/absence of O – Cl at topological distance 9 |

3999 | B09[O-Br] | Presence/absence of O – Br at topological distance 9 |

4000 | B09[O-I] | Presence/absence of O – I at topological distance 9 |

4001 | B09[O-B] | Presence/absence of O – B at topological distance 9 |

4002 | B09[O-Si] | Presence/absence of O – Si at topological distance 9 |

4003 | B09[O-X] | Presence/absence of O – X at topological distance 9 |

4004 | B09[S-S] | Presence/absence of S – S at topological distance 9 |

4005 | B09[S-P] | Presence/absence of S – P at topological distance 9 |

4006 | B09[S-F] | Presence/absence of S – F at topological distance 9 |

4007 | B09[S-Cl] | Presence/absence of S – Cl at topological distance 9 |

4008 | B09[S-Br] | Presence/absence of S – Br at topological distance 9 |

4009 | B09[S-I] | Presence/absence of S – I at topological distance 9 |

4010 | B09[S-B] | Presence/absence of S – B at topological distance 9 |

4011 | B09[S-Si] | Presence/absence of S – Si at topological distance 9 |

4012 | B09[S-X] | Presence/absence of S – X at topological distance 9 |

4013 | B09[P-P] | Presence/absence of P – P at topological distance 9 |

4014 | B09[P-F] | Presence/absence of P – F at topological distance 9 |

4015 | B09[P-Cl] | Presence/absence of P – Cl at topological distance 9 |

4016 | B09[P-Br] | Presence/absence of P – Br at topological distance 9 |

4017 | B09[P-I] | Presence/absence of P – I at topological distance 9 |

4018 | B09[P-B] | Presence/absence of P – B at topological distance 9 |

4019 | B09[P-Si] | Presence/absence of P – Si at topological distance 9 |

4020 | B09[P-X] | Presence/absence of P – X at topological distance 9 |

4021 | B09[F-F] | Presence/absence of F – F at topological distance 9 |

4022 | B09[F-Cl] | Presence/absence of F – Cl at topological distance 9 |

4023 | B09[F-Br] | Presence/absence of F – Br at topological distance 9 |

4024 | B09[F-I] | Presence/absence of F – I at topological distance 9 |

4025 | B09[F-B] | Presence/absence of F – B at topological distance 9 |

4026 | B09[F-Si] | Presence/absence of F – Si at topological distance 9 |

4027 | B09[F-X] | Presence/absence of F – X at topological distance 9 |

4028 | B09[Cl-Cl] | Presence/absence of Cl – Cl at topological distance 9 |

4029 | B09[Cl-Br] | Presence/absence of Cl – Br at topological distance 9 |

4030 | B09[Cl-I] | Presence/absence of Cl – I at topological distance 9 |

4031 | B09[Cl-B] | Presence/absence of Cl – B at topological distance 9 |

4032 | B09[Cl-Si] | Presence/absence of Cl – Si at topological distance 9 |

4033 | B09[Cl-X] | Presence/absence of Cl – X at topological distance 9 |

4034 | B09[Br-Br] | Presence/absence of Br – Br at topological distance 9 |

4035 | B09[Br-I] | Presence/absence of Br – I at topological distance 9 |

4036 | B09[Br-B] | Presence/absence of Br – B at topological distance 9 |

4037 | B09[Br-Si] | Presence/absence of Br – Si at topological distance 9 |

4038 | B09[Br-X] | Presence/absence of Br – X at topological distance 9 |

4039 | B09[I-I] | Presence/absence of I – I at topological distance 9 |

4040 | B09[I-B] | Presence/absence of I – B at topological distance 9 |

4041 | B09[I-Si] | Presence/absence of I – Si at topological distance 9 |

4042 | B09[I-X] | Presence/absence of I – X at topological distance 9 |

4043 | B09[B-B] | Presence/absence of B – B at topological distance 9 |

4044 | B09[B-Si] | Presence/absence of B – Si at topological distance 9 |

4045 | B09[B-X] | Presence/absence of B – X at topological distance 9 |

4046 | B09[Si-Si] | Presence/absence of Si – Si at topological distance 9 |

4047 | B09[Si-X] | Presence/absence of Si – X at topological distance 9 |

4048 | B09[X-X] | Presence/absence of X – X at topological distance 9 |

4049 | B10[C-C] | Presence/absence of C – C at topological distance 10 |

4050 | B10[C-N] | Presence/absence of C – N at topological distance 10 |

4051 | B10[C-O] | Presence/absence of C – O at topological distance 10 |

4052 | B10[C-S] | Presence/absence of C – S at topological distance 10 |

4053 | B10[C-P] | Presence/absence of C – P at topological distance 10 |

4054 | B10[C-F] | Presence/absence of C – F at topological distance 10 |

4055 | B10[C-Cl] | Presence/absence of C – Cl at topological distance 10 |

4056 | B10[C-Br] | Presence/absence of C – Br at topological distance 10 |

4057 | B10[C-I] | Presence/absence of C – I at topological distance 10 |

4058 | B10[C-B] | Presence/absence of C – B at topological distance 10 |

4059 | B10[C-Si] | Presence/absence of C – Si at topological distance 10 |

4060 | B10[C-X] | Presence/absence of C – X at topological distance 10 |

4061 | B10[N-N] | Presence/absence of N – N at topological distance 10 |

4062 | B10[N-O] | Presence/absence of N – O at topological distance 10 |

4063 | B10[N-S] | Presence/absence of N – S at topological distance 10 |

4064 | B10[N-P] | Presence/absence of N – P at topological distance 10 |

4065 | B10[N-F] | Presence/absence of N – F at topological distance 10 |

4066 | B10[N-Cl] | Presence/absence of N – Cl at topological distance 10 |

4067 | B10[N-Br] | Presence/absence of N – Br at topological distance 10 |

4068 | B10[N-I] | Presence/absence of N – I at topological distance 10 |

4069 | B10[N-B] | Presence/absence of N – B at topological distance 10 |

4070 | B10[N-Si] | Presence/absence of N – Si at topological distance 10 |

4071 | B10[N-X] | Presence/absence of N – X at topological distance 10 |

4072 | B10[O-O] | Presence/absence of O – O at topological distance 10 |

4073 | B10[O-S] | Presence/absence of O – S at topological distance 10 |

4074 | B10[O-P] | Presence/absence of O – P at topological distance 10 |

4075 | B10[O-F] | Presence/absence of O – F at topological distance 10 |

4076 | B10[O-Cl] | Presence/absence of O – Cl at topological distance 10 |

4077 | B10[O-Br] | Presence/absence of O – Br at topological distance 10 |

4078 | B10[O-I] | Presence/absence of O – I at topological distance 10 |

4079 | B10[O-B] | Presence/absence of O – B at topological distance 10 |

4080 | B10[O-Si] | Presence/absence of O – Si at topological distance 10 |

4081 | B10[O-X] | Presence/absence of O – X at topological distance 10 |

4082 | B10[S-S] | Presence/absence of S – S at topological distance 10 |

4083 | B10[S-P] | Presence/absence of S – P at topological distance 10 |

4084 | B10[S-F] | Presence/absence of S – F at topological distance 10 |

4085 | B10[S-Cl] | Presence/absence of S – Cl at topological distance 10 |

4086 | B10[S-Br] | Presence/absence of S – Br at topological distance 10 |

4087 | B10[S-I] | Presence/absence of S – I at topological distance 10 |

4088 | B10[S-B] | Presence/absence of S – B at topological distance 10 |

4089 | B10[S-Si] | Presence/absence of S – Si at topological distance 10 |

4090 | B10[S-X] | Presence/absence of S – X at topological distance 10 |

4091 | B10[P-P] | Presence/absence of P – P at topological distance 10 |

4092 | B10[P-F] | Presence/absence of P – F at topological distance 10 |

4093 | B10[P-Cl] | Presence/absence of P – Cl at topological distance 10 |

4094 | B10[P-Br] | Presence/absence of P – Br at topological distance 10 |

4095 | B10[P-I] | Presence/absence of P – I at topological distance 10 |

4096 | B10[P-B] | Presence/absence of P – B at topological distance 10 |

4097 | B10[P-Si] | Presence/absence of P – Si at topological distance 10 |

4098 | B10[P-X] | Presence/absence of P – X at topological distance 10 |

4099 | B10[F-F] | Presence/absence of F – F at topological distance 10 |

4100 | B10[F-Cl] | Presence/absence of F – Cl at topological distance 10 |

4101 | B10[F-Br] | Presence/absence of F – Br at topological distance 10 |

4102 | B10[F-I] | Presence/absence of F – I at topological distance 10 |

4103 | B10[F-B] | Presence/absence of F – B at topological distance 10 |

4104 | B10[F-Si] | Presence/absence of F – Si at topological distance 10 |

4105 | B10[F-X] | Presence/absence of F – X at topological distance 10 |

4106 | B10[Cl-Cl] | Presence/absence of Cl – Cl at topological distance 10 |

4107 | B10[Cl-Br] | Presence/absence of Cl – Br at topological distance 10 |

4108 | B10[Cl-I] | Presence/absence of Cl – I at topological distance 10 |

4109 | B10[Cl-B] | Presence/absence of Cl – B at topological distance 10 |

4110 | B10[Cl-Si] | Presence/absence of Cl – Si at topological distance 10 |

4111 | B10[Cl-X] | Presence/absence of Cl – X at topological distance 10 |

4112 | B10[Br-Br] | Presence/absence of Br – Br at topological distance 10 |

4113 | B10[Br-I] | Presence/absence of Br – I at topological distance 10 |

4114 | B10[Br-B] | Presence/absence of Br – B at topological distance 10 |

4115 | B10[Br-Si] | Presence/absence of Br – Si at topological distance 10 |

4116 | B10[Br-X] | Presence/absence of Br – X at topological distance 10 |

4117 | B10[I-I] | Presence/absence of I – I at topological distance 10 |

4118 | B10[I-B] | Presence/absence of I – B at topological distance 10 |

4119 | B10[I-Si] | Presence/absence of I – Si at topological distance 10 |

4120 | B10[I-X] | Presence/absence of I – X at topological distance 10 |

4121 | B10[B-B] | Presence/absence of B – B at topological distance 10 |

4122 | B10[B-Si] | Presence/absence of B – Si at topological distance 10 |

4123 | B10[B-X] | Presence/absence of B – X at topological distance 10 |

4124 | B10[Si-Si] | Presence/absence of Si – Si at topological distance 10 |

4125 | B10[Si-X] | Presence/absence of Si – X at topological distance 10 |

4126 | B10[X-X] | Presence/absence of X – X at topological distance 10 |

4127 | F01[C-C] | Frequency of C – C at topological distance 1 |

4128 | F01[C-N] | Frequency of C – N at topological distance 1 |

4129 | F01[C-O] | Frequency of C – O at topological distance 1 |

4130 | F01[C-S] | Frequency of C – S at topological distance 1 |

4131 | F01[C-P] | Frequency of C – P at topological distance 1 |

4132 | F01[C-F] | Frequency of C – F at topological distance 1 |

4133 | F01[C-Cl] | Frequency of C – Cl at topological distance 1 |

4134 | F01[C-Br] | Frequency of C – Br at topological distance 1 |

4135 | F01[C-I] | Frequency of C – I at topological distance 1 |

4136 | F01[C-B] | Frequency of C – B at topological distance 1 |

4137 | F01[C-Si] | Frequency of C – Si at topological distance 1 |

4138 | F01[C-X] | Frequency of C – X at topological distance 1 |

4139 | F01[N-N] | Frequency of N – N at topological distance 1 |

4140 | F01[N-O] | Frequency of N – O at topological distance 1 |

4141 | F01[N-S] | Frequency of N – S at topological distance 1 |

4142 | F01[N-P] | Frequency of N – P at topological distance 1 |

4143 | F01[N-F] | Frequency of N – F at topological distance 1 |

4144 | F01[N-Cl] | Frequency of N – Cl at topological distance 1 |

4145 | F01[N-Br] | Frequency of N – Br at topological distance 1 |

4146 | F01[N-I] | Frequency of N – I at topological distance 1 |

4147 | F01[N-B] | Frequency of N – B at topological distance 1 |

4148 | F01[N-Si] | Frequency of N – Si at topological distance 1 |

4149 | F01[N-X] | Frequency of N – X at topological distance 1 |

4150 | F01[O-O] | Frequency of O – O at topological distance 1 |

4151 | F01[O-S] | Frequency of O – S at topological distance 1 |

4152 | F01[O-P] | Frequency of O – P at topological distance 1 |

4153 | F01[O-F] | Frequency of O – F at topological distance 1 |

4154 | F01[O-Cl] | Frequency of O – Cl at topological distance 1 |

4155 | F01[O-Br] | Frequency of O – Br at topological distance 1 |

4156 | F01[O-I] | Frequency of O – I at topological distance 1 |

4157 | F01[O-B] | Frequency of O – B at topological distance 1 |

4158 | F01[O-Si] | Frequency of O – Si at topological distance 1 |

4159 | F01[O-X] | Frequency of O – X at topological distance 1 |

4160 | F01[S-S] | Frequency of S – S at topological distance 1 |

4161 | F01[S-P] | Frequency of S – P at topological distance 1 |

4162 | F01[S-F] | Frequency of S – F at topological distance 1 |

4163 | F01[S-Cl] | Frequency of S – Cl at topological distance 1 |

4164 | F01[S-Br] | Frequency of S – Br at topological distance 1 |

4165 | F01[S-I] | Frequency of S – I at topological distance 1 |

4166 | F01[S-B] | Frequency of S – B at topological distance 1 |

4167 | F01[S-Si] | Frequency of S – Si at topological distance 1 |

4168 | F01[S-X] | Frequency of S – X at topological distance 1 |

4169 | F01[P-P] | Frequency of P – P at topological distance 1 |

4170 | F01[P-F] | Frequency of P – F at topological distance 1 |

4171 | F01[P-Cl] | Frequency of P – Cl at topological distance 1 |

4172 | F01[P-Br] | Frequency of P – Br at topological distance 1 |

4173 | F01[P-I] | Frequency of P – I at topological distance 1 |

4174 | F01[P-B] | Frequency of P – B at topological distance 1 |

4175 | F01[P-Si] | Frequency of P – Si at topological distance 1 |

4176 | F01[P-X] | Frequency of P – X at topological distance 1 |

4177 | F01[F-F] | Frequency of F – F at topological distance 1 |

4178 | F01[F-Cl] | Frequency of F – Cl at topological distance 1 |

4179 | F01[F-Br] | Frequency of F – Br at topological distance 1 |

4180 | F01[F-I] | Frequency of F – I at topological distance 1 |

4181 | F01[F-B] | Frequency of F – B at topological distance 1 |

4182 | F01[F-Si] | Frequency of F – Si at topological distance 1 |

4183 | F01[F-X] | Frequency of F – X at topological distance 1 |

4184 | F01[Cl-Cl] | Frequency of Cl – Cl at topological distance 1 |

4185 | F01[Cl-Br] | Frequency of Cl – Br at topological distance 1 |

4186 | F01[Cl-I] | Frequency of Cl – I at topological distance 1 |

4187 | F01[Cl-B] | Frequency of Cl – B at topological distance 1 |

4188 | F01[Cl-Si] | Frequency of Cl – Si at topological distance 1 |

4189 | F01[Cl-X] | Frequency of Cl – X at topological distance 1 |

4190 | F01[Br-Br] | Frequency of Br – Br at topological distance 1 |

4191 | F01[Br-I] | Frequency of Br – I at topological distance 1 |

4192 | F01[Br-B] | Frequency of Br – B at topological distance 1 |

4193 | F01[Br-Si] | Frequency of Br – Si at topological distance 1 |

4194 | F01[Br-X] | Frequency of Br – X at topological distance 1 |

4195 | F01[I-I] | Frequency of I – I at topological distance 1 |

4196 | F01[I-B] | Frequency of I – B at topological distance 1 |

4197 | F01[I-Si] | Frequency of I – Si at topological distance 1 |

4198 | F01[I-X] | Frequency of I – X at topological distance 1 |

4199 | F01[B-B] | Frequency of B – B at topological distance 1 |

4200 | F01[B-Si] | Frequency of B – Si at topological distance 1 |

4201 | F01[B-X] | Frequency of B – X at topological distance 1 |

4202 | F01[Si-Si] | Frequency of Si – Si at topological distance 1 |

4203 | F01[Si-X] | Frequency of Si – X at topological distance 1 |

4204 | F01[X-X] | Frequency of X – X at topological distance 1 |

4205 | F02[C-C] | Frequency of C – C at topological distance 2 |

4206 | F02[C-N] | Frequency of C – N at topological distance 2 |

4207 | F02[C-O] | Frequency of C – O at topological distance 2 |

4208 | F02[C-S] | Frequency of C – S at topological distance 2 |

4209 | F02[C-P] | Frequency of C – P at topological distance 2 |

4210 | F02[C-F] | Frequency of C – F at topological distance 2 |

4211 | F02[C-Cl] | Frequency of C – Cl at topological distance 2 |

4212 | F02[C-Br] | Frequency of C – Br at topological distance 2 |

4213 | F02[C-I] | Frequency of C – I at topological distance 2 |

4214 | F02[C-B] | Frequency of C – B at topological distance 2 |

4215 | F02[C-Si] | Frequency of C – Si at topological distance 2 |

4216 | F02[C-X] | Frequency of C – X at topological distance 2 |

4217 | F02[N-N] | Frequency of N – N at topological distance 2 |

4218 | F02[N-O] | Frequency of N – O at topological distance 2 |

4219 | F02[N-S] | Frequency of N – S at topological distance 2 |

4220 | F02[N-P] | Frequency of N – P at topological distance 2 |

4221 | F02[N-F] | Frequency of N – F at topological distance 2 |

4222 | F02[N-Cl] | Frequency of N – Cl at topological distance 2 |

4223 | F02[N-Br] | Frequency of N – Br at topological distance 2 |

4224 | F02[N-I] | Frequency of N – I at topological distance 2 |

4225 | F02[N-B] | Frequency of N – B at topological distance 2 |

4226 | F02[N-Si] | Frequency of N – Si at topological distance 2 |

4227 | F02[N-X] | Frequency of N – X at topological distance 2 |

4228 | F02[O-O] | Frequency of O – O at topological distance 2 |

4229 | F02[O-S] | Frequency of O – S at topological distance 2 |

4230 | F02[O-P] | Frequency of O – P at topological distance 2 |

4231 | F02[O-F] | Frequency of O – F at topological distance 2 |

4232 | F02[O-Cl] | Frequency of O – Cl at topological distance 2 |

4233 | F02[O-Br] | Frequency of O – Br at topological distance 2 |

4234 | F02[O-I] | Frequency of O – I at topological distance 2 |

4235 | F02[O-B] | Frequency of O – B at topological distance 2 |

4236 | F02[O-Si] | Frequency of O – Si at topological distance 2 |

4237 | F02[O-X] | Frequency of O – X at topological distance 2 |

4238 | F02[S-S] | Frequency of S – S at topological distance 2 |

4239 | F02[S-P] | Frequency of S – P at topological distance 2 |

4240 | F02[S-F] | Frequency of S – F at topological distance 2 |

4241 | F02[S-Cl] | Frequency of S – Cl at topological distance 2 |

4242 | F02[S-Br] | Frequency of S – Br at topological distance 2 |

4243 | F02[S-I] | Frequency of S – I at topological distance 2 |

4244 | F02[S-B] | Frequency of S – B at topological distance 2 |

4245 | F02[S-Si] | Frequency of S – Si at topological distance 2 |

4246 | F02[S-X] | Frequency of S – X at topological distance 2 |

4247 | F02[P-P] | Frequency of P – P at topological distance 2 |

4248 | F02[P-F] | Frequency of P – F at topological distance 2 |

4249 | F02[P-Cl] | Frequency of P – Cl at topological distance 2 |

4250 | F02[P-Br] | Frequency of P – Br at topological distance 2 |

4251 | F02[P-I] | Frequency of P – I at topological distance 2 |

4252 | F02[P-B] | Frequency of P – B at topological distance 2 |

4253 | F02[P-Si] | Frequency of P – Si at topological distance 2 |

4254 | F02[P-X] | Frequency of P – X at topological distance 2 |

4255 | F02[F-F] | Frequency of F – F at topological distance 2 |

4256 | F02[F-Cl] | Frequency of F – Cl at topological distance 2 |

4257 | F02[F-Br] | Frequency of F – Br at topological distance 2 |

4258 | F02[F-I] | Frequency of F – I at topological distance 2 |

4259 | F02[F-B] | Frequency of F – B at topological distance 2 |

4260 | F02[F-Si] | Frequency of F – Si at topological distance 2 |

4261 | F02[F-X] | Frequency of F – X at topological distance 2 |

4262 | F02[Cl-Cl] | Frequency of Cl – Cl at topological distance 2 |

4263 | F02[Cl-Br] | Frequency of Cl – Br at topological distance 2 |

4264 | F02[Cl-I] | Frequency of Cl – I at topological distance 2 |

4265 | F02[Cl-B] | Frequency of Cl – B at topological distance 2 |

4266 | F02[Cl-Si] | Frequency of Cl – Si at topological distance 2 |

4267 | F02[Cl-X] | Frequency of Cl – X at topological distance 2 |

4268 | F02[Br-Br] | Frequency of Br – Br at topological distance 2 |

4269 | F02[Br-I] | Frequency of Br – I at topological distance 2 |

4270 | F02[Br-B] | Frequency of Br – B at topological distance 2 |

4271 | F02[Br-Si] | Frequency of Br – Si at topological distance 2 |

4272 | F02[Br-X] | Frequency of Br – X at topological distance 2 |

4273 | F02[I-I] | Frequency of I – I at topological distance 2 |

4274 | F02[I-B] | Frequency of I – B at topological distance 2 |

4275 | F02[I-Si] | Frequency of I – Si at topological distance 2 |

4276 | F02[I-X] | Frequency of I – X at topological distance 2 |

4277 | F02[B-B] | Frequency of B – B at topological distance 2 |

4278 | F02[B-Si] | Frequency of B – Si at topological distance 2 |

4279 | F02[B-X] | Frequency of B – X at topological distance 2 |

4280 | F02[Si-Si] | Frequency of Si – Si at topological distance 2 |

4281 | F02[Si-X] | Frequency of Si – X at topological distance 2 |

4282 | F02[X-X] | Frequency of X – X at topological distance 2 |

4283 | F03[C-C] | Frequency of C – C at topological distance 3 |

4284 | F03[C-N] | Frequency of C – N at topological distance 3 |

4285 | F03[C-O] | Frequency of C – O at topological distance 3 |

4286 | F03[C-S] | Frequency of C – S at topological distance 3 |

4287 | F03[C-P] | Frequency of C – P at topological distance 3 |

4288 | F03[C-F] | Frequency of C – F at topological distance 3 |

4289 | F03[C-Cl] | Frequency of C – Cl at topological distance 3 |

4290 | F03[C-Br] | Frequency of C – Br at topological distance 3 |

4291 | F03[C-I] | Frequency of C – I at topological distance 3 |

4292 | F03[C-B] | Frequency of C – B at topological distance 3 |

4293 | F03[C-Si] | Frequency of C – Si at topological distance 3 |

4294 | F03[C-X] | Frequency of C – X at topological distance 3 |

4295 | F03[N-N] | Frequency of N – N at topological distance 3 |

4296 | F03[N-O] | Frequency of N – O at topological distance 3 |

4297 | F03[N-S] | Frequency of N – S at topological distance 3 |

4298 | F03[N-P] | Frequency of N – P at topological distance 3 |

4299 | F03[N-F] | Frequency of N – F at topological distance 3 |

4300 | F03[N-Cl] | Frequency of N – Cl at topological distance 3 |

4301 | F03[N-Br] | Frequency of N – Br at topological distance 3 |

4302 | F03[N-I] | Frequency of N – I at topological distance 3 |

4303 | F03[N-B] | Frequency of N – B at topological distance 3 |

4304 | F03[N-Si] | Frequency of N – Si at topological distance 3 |

4305 | F03[N-X] | Frequency of N – X at topological distance 3 |

4306 | F03[O-O] | Frequency of O – O at topological distance 3 |

4307 | F03[O-S] | Frequency of O – S at topological distance 3 |

4308 | F03[O-P] | Frequency of O – P at topological distance 3 |

4309 | F03[O-F] | Frequency of O – F at topological distance 3 |

4310 | F03[O-Cl] | Frequency of O – Cl at topological distance 3 |

4311 | F03[O-Br] | Frequency of O – Br at topological distance 3 |

4312 | F03[O-I] | Frequency of O – I at topological distance 3 |

4313 | F03[O-B] | Frequency of O – B at topological distance 3 |

4314 | F03[O-Si] | Frequency of O – Si at topological distance 3 |

4315 | F03[O-X] | Frequency of O – X at topological distance 3 |

4316 | F03[S-S] | Frequency of S – S at topological distance 3 |

4317 | F03[S-P] | Frequency of S – P at topological distance 3 |

4318 | F03[S-F] | Frequency of S – F at topological distance 3 |

4319 | F03[S-Cl] | Frequency of S – Cl at topological distance 3 |

4320 | F03[S-Br] | Frequency of S – Br at topological distance 3 |

4321 | F03[S-I] | Frequency of S – I at topological distance 3 |

4322 | F03[S-B] | Frequency of S – B at topological distance 3 |

4323 | F03[S-Si] | Frequency of S – Si at topological distance 3 |

4324 | F03[S-X] | Frequency of S – X at topological distance 3 |

4325 | F03[P-P] | Frequency of P – P at topological distance 3 |

4326 | F03[P-F] | Frequency of P – F at topological distance 3 |

4327 | F03[P-Cl] | Frequency of P – Cl at topological distance 3 |

4328 | F03[P-Br] | Frequency of P – Br at topological distance 3 |

4329 | F03[P-I] | Frequency of P – I at topological distance 3 |

4330 | F03[P-B] | Frequency of P – B at topological distance 3 |

4331 | F03[P-Si] | Frequency of P – Si at topological distance 3 |

4332 | F03[P-X] | Frequency of P – X at topological distance 3 |

4333 | F03[F-F] | Frequency of F – F at topological distance 3 |

4334 | F03[F-Cl] | Frequency of F – Cl at topological distance 3 |

4335 | F03[F-Br] | Frequency of F – Br at topological distance 3 |

4336 | F03[F-I] | Frequency of F – I at topological distance 3 |

4337 | F03[F-B] | Frequency of F – B at topological distance 3 |

4338 | F03[F-Si] | Frequency of F – Si at topological distance 3 |

4339 | F03[F-X] | Frequency of F – X at topological distance 3 |

4340 | F03[Cl-Cl] | Frequency of Cl – Cl at topological distance 3 |

4341 | F03[Cl-Br] | Frequency of Cl – Br at topological distance 3 |

4342 | F03[Cl-I] | Frequency of Cl – I at topological distance 3 |

4343 | F03[Cl-B] | Frequency of Cl – B at topological distance 3 |

4344 | F03[Cl-Si] | Frequency of Cl – Si at topological distance 3 |

4345 | F03[Cl-X] | Frequency of Cl – X at topological distance 3 |

4346 | F03[Br-Br] | Frequency of Br – Br at topological distance 3 |

4347 | F03[Br-I] | Frequency of Br – I at topological distance 3 |

4348 | F03[Br-B] | Frequency of Br – B at topological distance 3 |

4349 | F03[Br-Si] | Frequency of Br – Si at topological distance 3 |

4350 | F03[Br-X] | Frequency of Br – X at topological distance 3 |

4351 | F03[I-I] | Frequency of I – I at topological distance 3 |

4352 | F03[I-B] | Frequency of I – B at topological distance 3 |

4353 | F03[I-Si] | Frequency of I – Si at topological distance 3 |

4354 | F03[I-X] | Frequency of I – X at topological distance 3 |

4355 | F03[B-B] | Frequency of B – B at topological distance 3 |

4356 | F03[B-Si] | Frequency of B – Si at topological distance 3 |

4357 | F03[B-X] | Frequency of B – X at topological distance 3 |

4358 | F03[Si-Si] | Frequency of Si – Si at topological distance 3 |

4359 | F03[Si-X] | Frequency of Si – X at topological distance 3 |

4360 | F03[X-X] | Frequency of X – X at topological distance 3 |

4361 | F04[C-C] | Frequency of C – C at topological distance 4 |

4362 | F04[C-N] | Frequency of C – N at topological distance 4 |

4363 | F04[C-O] | Frequency of C – O at topological distance 4 |

4364 | F04[C-S] | Frequency of C – S at topological distance 4 |

4365 | F04[C-P] | Frequency of C – P at topological distance 4 |

4366 | F04[C-F] | Frequency of C – F at topological distance 4 |

4367 | F04[C-Cl] | Frequency of C – Cl at topological distance 4 |

4368 | F04[C-Br] | Frequency of C – Br at topological distance 4 |

4369 | F04[C-I] | Frequency of C – I at topological distance 4 |

4370 | F04[C-B] | Frequency of C – B at topological distance 4 |

4371 | F04[C-Si] | Frequency of C – Si at topological distance 4 |

4372 | F04[C-X] | Frequency of C – X at topological distance 4 |

4373 | F04[N-N] | Frequency of N – N at topological distance 4 |

4374 | F04[N-O] | Frequency of N – O at topological distance 4 |

4375 | F04[N-S] | Frequency of N – S at topological distance 4 |

4376 | F04[N-P] | Frequency of N – P at topological distance 4 |

4377 | F04[N-F] | Frequency of N – F at topological distance 4 |

4378 | F04[N-Cl] | Frequency of N – Cl at topological distance 4 |

4379 | F04[N-Br] | Frequency of N – Br at topological distance 4 |

4380 | F04[N-I] | Frequency of N – I at topological distance 4 |

4381 | F04[N-B] | Frequency of N – B at topological distance 4 |

4382 | F04[N-Si] | Frequency of N – Si at topological distance 4 |

4383 | F04[N-X] | Frequency of N – X at topological distance 4 |

4384 | F04[O-O] | Frequency of O – O at topological distance 4 |

4385 | F04[O-S] | Frequency of O – S at topological distance 4 |

4386 | F04[O-P] | Frequency of O – P at topological distance 4 |

4387 | F04[O-F] | Frequency of O – F at topological distance 4 |

4388 | F04[O-Cl] | Frequency of O – Cl at topological distance 4 |

4389 | F04[O-Br] | Frequency of O – Br at topological distance 4 |

4390 | F04[O-I] | Frequency of O – I at topological distance 4 |

4391 | F04[O-B] | Frequency of O – B at topological distance 4 |

4392 | F04[O-Si] | Frequency of O – Si at topological distance 4 |

4393 | F04[O-X] | Frequency of O – X at topological distance 4 |

4394 | F04[S-S] | Frequency of S – S at topological distance 4 |

4395 | F04[S-P] | Frequency of S – P at topological distance 4 |

4396 | F04[S-F] | Frequency of S – F at topological distance 4 |

4397 | F04[S-Cl] | Frequency of S – Cl at topological distance 4 |

4398 | F04[S-Br] | Frequency of S – Br at topological distance 4 |

4399 | F04[S-I] | Frequency of S – I at topological distance 4 |

4400 | F04[S-B] | Frequency of S – B at topological distance 4 |

4401 | F04[S-Si] | Frequency of S – Si at topological distance 4 |

4402 | F04[S-X] | Frequency of S – X at topological distance 4 |

4403 | F04[P-P] | Frequency of P – P at topological distance 4 |

4404 | F04[P-F] | Frequency of P – F at topological distance 4 |

4405 | F04[P-Cl] | Frequency of P – Cl at topological distance 4 |

4406 | F04[P-Br] | Frequency of P – Br at topological distance 4 |

4407 | F04[P-I] | Frequency of P – I at topological distance 4 |

4408 | F04[P-B] | Frequency of P – B at topological distance 4 |

4409 | F04[P-Si] | Frequency of P – Si at topological distance 4 |

4410 | F04[P-X] | Frequency of P – X at topological distance 4 |

4411 | F04[F-F] | Frequency of F – F at topological distance 4 |

4412 | F04[F-Cl] | Frequency of F – Cl at topological distance 4 |

4413 | F04[F-Br] | Frequency of F – Br at topological distance 4 |

4414 | F04[F-I] | Frequency of F – I at topological distance 4 |

4415 | F04[F-B] | Frequency of F – B at topological distance 4 |

4416 | F04[F-Si] | Frequency of F – Si at topological distance 4 |

4417 | F04[F-X] | Frequency of F – X at topological distance 4 |

4418 | F04[Cl-Cl] | Frequency of Cl – Cl at topological distance 4 |

4419 | F04[Cl-Br] | Frequency of Cl – Br at topological distance 4 |

4420 | F04[Cl-I] | Frequency of Cl – I at topological distance 4 |

4421 | F04[Cl-B] | Frequency of Cl – B at topological distance 4 |

4422 | F04[Cl-Si] | Frequency of Cl – Si at topological distance 4 |

4423 | F04[Cl-X] | Frequency of Cl – X at topological distance 4 |

4424 | F04[Br-Br] | Frequency of Br – Br at topological distance 4 |

4425 | F04[Br-I] | Frequency of Br – I at topological distance 4 |

4426 | F04[Br-B] | Frequency of Br – B at topological distance 4 |

4427 | F04[Br-Si] | Frequency of Br – Si at topological distance 4 |

4428 | F04[Br-X] | Frequency of Br – X at topological distance 4 |

4429 | F04[I-I] | Frequency of I – I at topological distance 4 |

4430 | F04[I-B] | Frequency of I – B at topological distance 4 |

4431 | F04[I-Si] | Frequency of I – Si at topological distance 4 |

4432 | F04[I-X] | Frequency of I – X at topological distance 4 |

4433 | F04[B-B] | Frequency of B – B at topological distance 4 |

4434 | F04[B-Si] | Frequency of B – Si at topological distance 4 |

4435 | F04[B-X] | Frequency of B – X at topological distance 4 |

4436 | F04[Si-Si] | Frequency of Si – Si at topological distance 4 |

4437 | F04[Si-X] | Frequency of Si – X at topological distance 4 |

4438 | F04[X-X] | Frequency of X – X at topological distance 4 |

4439 | F05[C-C] | Frequency of C – C at topological distance 5 |

4440 | F05[C-N] | Frequency of C – N at topological distance 5 |

4441 | F05[C-O] | Frequency of C – O at topological distance 5 |

4442 | F05[C-S] | Frequency of C – S at topological distance 5 |

4443 | F05[C-P] | Frequency of C – P at topological distance 5 |

4444 | F05[C-F] | Frequency of C – F at topological distance 5 |

4445 | F05[C-Cl] | Frequency of C – Cl at topological distance 5 |

4446 | F05[C-Br] | Frequency of C – Br at topological distance 5 |

4447 | F05[C-I] | Frequency of C – I at topological distance 5 |

4448 | F05[C-B] | Frequency of C – B at topological distance 5 |

4449 | F05[C-Si] | Frequency of C – Si at topological distance 5 |

4450 | F05[C-X] | Frequency of C – X at topological distance 5 |

4451 | F05[N-N] | Frequency of N – N at topological distance 5 |

4452 | F05[N-O] | Frequency of N – O at topological distance 5 |

4453 | F05[N-S] | Frequency of N – S at topological distance 5 |

4454 | F05[N-P] | Frequency of N – P at topological distance 5 |

4455 | F05[N-F] | Frequency of N – F at topological distance 5 |

4456 | F05[N-Cl] | Frequency of N – Cl at topological distance 5 |

4457 | F05[N-Br] | Frequency of N – Br at topological distance 5 |

4458 | F05[N-I] | Frequency of N – I at topological distance 5 |

4459 | F05[N-B] | Frequency of N – B at topological distance 5 |

4460 | F05[N-Si] | Frequency of N – Si at topological distance 5 |

4461 | F05[N-X] | Frequency of N – X at topological distance 5 |

4462 | F05[O-O] | Frequency of O – O at topological distance 5 |

4463 | F05[O-S] | Frequency of O – S at topological distance 5 |

4464 | F05[O-P] | Frequency of O – P at topological distance 5 |

4465 | F05[O-F] | Frequency of O – F at topological distance 5 |

4466 | F05[O-Cl] | Frequency of O – Cl at topological distance 5 |

4467 | F05[O-Br] | Frequency of O – Br at topological distance 5 |

4468 | F05[O-I] | Frequency of O – I at topological distance 5 |

4469 | F05[O-B] | Frequency of O – B at topological distance 5 |

4470 | F05[O-Si] | Frequency of O – Si at topological distance 5 |

4471 | F05[O-X] | Frequency of O – X at topological distance 5 |

4472 | F05[S-S] | Frequency of S – S at topological distance 5 |

4473 | F05[S-P] | Frequency of S – P at topological distance 5 |

4474 | F05[S-F] | Frequency of S – F at topological distance 5 |

4475 | F05[S-Cl] | Frequency of S – Cl at topological distance 5 |

4476 | F05[S-Br] | Frequency of S – Br at topological distance 5 |

4477 | F05[S-I] | Frequency of S – I at topological distance 5 |

4478 | F05[S-B] | Frequency of S – B at topological distance 5 |

4479 | F05[S-Si] | Frequency of S – Si at topological distance 5 |

4480 | F05[S-X] | Frequency of S – X at topological distance 5 |

4481 | F05[P-P] | Frequency of P – P at topological distance 5 |

4482 | F05[P-F] | Frequency of P – F at topological distance 5 |

4483 | F05[P-Cl] | Frequency of P – Cl at topological distance 5 |

4484 | F05[P-Br] | Frequency of P – Br at topological distance 5 |

4485 | F05[P-I] | Frequency of P – I at topological distance 5 |

4486 | F05[P-B] | Frequency of P – B at topological distance 5 |

4487 | F05[P-Si] | Frequency of P – Si at topological distance 5 |

4488 | F05[P-X] | Frequency of P – X at topological distance 5 |

4489 | F05[F-F] | Frequency of F – F at topological distance 5 |

4490 | F05[F-Cl] | Frequency of F – Cl at topological distance 5 |

4491 | F05[F-Br] | Frequency of F – Br at topological distance 5 |

4492 | F05[F-I] | Frequency of F – I at topological distance 5 |

4493 | F05[F-B] | Frequency of F – B at topological distance 5 |

4494 | F05[F-Si] | Frequency of F – Si at topological distance 5 |

4495 | F05[F-X] | Frequency of F – X at topological distance 5 |

4496 | F05[Cl-Cl] | Frequency of Cl – Cl at topological distance 5 |

4497 | F05[Cl-Br] | Frequency of Cl – Br at topological distance 5 |

4498 | F05[Cl-I] | Frequency of Cl – I at topological distance 5 |

4499 | F05[Cl-B] | Frequency of Cl – B at topological distance 5 |

4500 | F05[Cl-Si] | Frequency of Cl – Si at topological distance 5 |

4501 | F05[Cl-X] | Frequency of Cl – X at topological distance 5 |

4502 | F05[Br-Br] | Frequency of Br – Br at topological distance 5 |

4503 | F05[Br-I] | Frequency of Br – I at topological distance 5 |

4504 | F05[Br-B] | Frequency of Br – B at topological distance 5 |

4505 | F05[Br-Si] | Frequency of Br – Si at topological distance 5 |

4506 | F05[Br-X] | Frequency of Br – X at topological distance 5 |

4507 | F05[I-I] | Frequency of I – I at topological distance 5 |

4508 | F05[I-B] | Frequency of I – B at topological distance 5 |

4509 | F05[I-Si] | Frequency of I – Si at topological distance 5 |

4510 | F05[I-X] | Frequency of I – X at topological distance 5 |

4511 | F05[B-B] | Frequency of B – B at topological distance 5 |

4512 | F05[B-Si] | Frequency of B – Si at topological distance 5 |

4513 | F05[B-X] | Frequency of B – X at topological distance 5 |

4514 | F05[Si-Si] | Frequency of Si – Si at topological distance 5 |

4515 | F05[Si-X] | Frequency of Si – X at topological distance 5 |

4516 | F05[X-X] | Frequency of X – X at topological distance 5 |

4517 | F06[C-C] | Frequency of C – C at topological distance 6 |

4518 | F06[C-N] | Frequency of C – N at topological distance 6 |

4519 | F06[C-O] | Frequency of C – O at topological distance 6 |

4520 | F06[C-S] | Frequency of C – S at topological distance 6 |

4521 | F06[C-P] | Frequency of C – P at topological distance 6 |

4522 | F06[C-F] | Frequency of C – F at topological distance 6 |

4523 | F06[C-Cl] | Frequency of C – Cl at topological distance 6 |

4524 | F06[C-Br] | Frequency of C – Br at topological distance 6 |

4525 | F06[C-I] | Frequency of C – I at topological distance 6 |

4526 | F06[C-B] | Frequency of C – B at topological distance 6 |

4527 | F06[C-Si] | Frequency of C – Si at topological distance 6 |

4528 | F06[C-X] | Frequency of C – X at topological distance 6 |

4529 | F06[N-N] | Frequency of N – N at topological distance 6 |

4530 | F06[N-O] | Frequency of N – O at topological distance 6 |

4531 | F06[N-S] | Frequency of N – S at topological distance 6 |

4532 | F06[N-P] | Frequency of N – P at topological distance 6 |

4533 | F06[N-F] | Frequency of N – F at topological distance 6 |

4534 | F06[N-Cl] | Frequency of N – Cl at topological distance 6 |

4535 | F06[N-Br] | Frequency of N – Br at topological distance 6 |

4536 | F06[N-I] | Frequency of N – I at topological distance 6 |

4537 | F06[N-B] | Frequency of N – B at topological distance 6 |

4538 | F06[N-Si] | Frequency of N – Si at topological distance 6 |

4539 | F06[N-X] | Frequency of N – X at topological distance 6 |

4540 | F06[O-O] | Frequency of O – O at topological distance 6 |

4541 | F06[O-S] | Frequency of O – S at topological distance 6 |

4542 | F06[O-P] | Frequency of O – P at topological distance 6 |

4543 | F06[O-F] | Frequency of O – F at topological distance 6 |

4544 | F06[O-Cl] | Frequency of O – Cl at topological distance 6 |

4545 | F06[O-Br] | Frequency of O – Br at topological distance 6 |

4546 | F06[O-I] | Frequency of O – I at topological distance 6 |

4547 | F06[O-B] | Frequency of O – B at topological distance 6 |

4548 | F06[O-Si] | Frequency of O – Si at topological distance 6 |

4549 | F06[O-X] | Frequency of O – X at topological distance 6 |

4550 | F06[S-S] | Frequency of S – S at topological distance 6 |

4551 | F06[S-P] | Frequency of S – P at topological distance 6 |

4552 | F06[S-F] | Frequency of S – F at topological distance 6 |

4553 | F06[S-Cl] | Frequency of S – Cl at topological distance 6 |

4554 | F06[S-Br] | Frequency of S – Br at topological distance 6 |

4555 | F06[S-I] | Frequency of S – I at topological distance 6 |

4556 | F06[S-B] | Frequency of S – B at topological distance 6 |

4557 | F06[S-Si] | Frequency of S – Si at topological distance 6 |

4558 | F06[S-X] | Frequency of S – X at topological distance 6 |

4559 | F06[P-P] | Frequency of P – P at topological distance 6 |

4560 | F06[P-F] | Frequency of P – F at topological distance 6 |

4561 | F06[P-Cl] | Frequency of P – Cl at topological distance 6 |

4562 | F06[P-Br] | Frequency of P – Br at topological distance 6 |

4563 | F06[P-I] | Frequency of P – I at topological distance 6 |

4564 | F06[P-B] | Frequency of P – B at topological distance 6 |

4565 | F06[P-Si] | Frequency of P – Si at topological distance 6 |

4566 | F06[P-X] | Frequency of P – X at topological distance 6 |

4567 | F06[F-F] | Frequency of F – F at topological distance 6 |

4568 | F06[F-Cl] | Frequency of F – Cl at topological distance 6 |

4569 | F06[F-Br] | Frequency of F – Br at topological distance 6 |

4570 | F06[F-I] | Frequency of F – I at topological distance 6 |

4571 | F06[F-B] | Frequency of F – B at topological distance 6 |

4572 | F06[F-Si] | Frequency of F – Si at topological distance 6 |

4573 | F06[F-X] | Frequency of F – X at topological distance 6 |

4574 | F06[Cl-Cl] | Frequency of Cl – Cl at topological distance 6 |

4575 | F06[Cl-Br] | Frequency of Cl – Br at topological distance 6 |

4576 | F06[Cl-I] | Frequency of Cl – I at topological distance 6 |

4577 | F06[Cl-B] | Frequency of Cl – B at topological distance 6 |

4578 | F06[Cl-Si] | Frequency of Cl – Si at topological distance 6 |

4579 | F06[Cl-X] | Frequency of Cl – X at topological distance 6 |

4580 | F06[Br-Br] | Frequency of Br – Br at topological distance 6 |

4581 | F06[Br-I] | Frequency of Br – I at topological distance 6 |

4582 | F06[Br-B] | Frequency of Br – B at topological distance 6 |

4583 | F06[Br-Si] | Frequency of Br – Si at topological distance 6 |

4584 | F06[Br-X] | Frequency of Br – X at topological distance 6 |

4585 | F06[I-I] | Frequency of I – I at topological distance 6 |

4586 | F06[I-B] | Frequency of I – B at topological distance 6 |

4587 | F06[I-Si] | Frequency of I – Si at topological distance 6 |

4588 | F06[I-X] | Frequency of I – X at topological distance 6 |

4589 | F06[B-B] | Frequency of B – B at topological distance 6 |

4590 | F06[B-Si] | Frequency of B – Si at topological distance 6 |

4591 | F06[B-X] | Frequency of B – X at topological distance 6 |

4592 | F06[Si-Si] | Frequency of Si – Si at topological distance 6 |

4593 | F06[Si-X] | Frequency of Si – X at topological distance 6 |

4594 | F06[X-X] | Frequency of X – X at topological distance 6 |

4595 | F07[C-C] | Frequency of C – C at topological distance 7 |

4596 | F07[C-N] | Frequency of C – N at topological distance 7 |

4597 | F07[C-O] | Frequency of C – O at topological distance 7 |

4598 | F07[C-S] | Frequency of C – S at topological distance 7 |

4599 | F07[C-P] | Frequency of C – P at topological distance 7 |

4600 | F07[C-F] | Frequency of C – F at topological distance 7 |

4601 | F07[C-Cl] | Frequency of C – Cl at topological distance 7 |

4602 | F07[C-Br] | Frequency of C – Br at topological distance 7 |

4603 | F07[C-I] | Frequency of C – I at topological distance 7 |

4604 | F07[C-B] | Frequency of C – B at topological distance 7 |

4605 | F07[C-Si] | Frequency of C – Si at topological distance 7 |

4606 | F07[C-X] | Frequency of C – X at topological distance 7 |

4607 | F07[N-N] | Frequency of N – N at topological distance 7 |

4608 | F07[N-O] | Frequency of N – O at topological distance 7 |

4609 | F07[N-S] | Frequency of N – S at topological distance 7 |

4610 | F07[N-P] | Frequency of N – P at topological distance 7 |

4611 | F07[N-F] | Frequency of N – F at topological distance 7 |

4612 | F07[N-Cl] | Frequency of N – Cl at topological distance 7 |

4613 | F07[N-Br] | Frequency of N – Br at topological distance 7 |

4614 | F07[N-I] | Frequency of N – I at topological distance 7 |

4615 | F07[N-B] | Frequency of N – B at topological distance 7 |

4616 | F07[N-Si] | Frequency of N – Si at topological distance 7 |

4617 | F07[N-X] | Frequency of N – X at topological distance 7 |

4618 | F07[O-O] | Frequency of O – O at topological distance 7 |

4619 | F07[O-S] | Frequency of O – S at topological distance 7 |

4620 | F07[O-P] | Frequency of O – P at topological distance 7 |

4621 | F07[O-F] | Frequency of O – F at topological distance 7 |

4622 | F07[O-Cl] | Frequency of O – Cl at topological distance 7 |

4623 | F07[O-Br] | Frequency of O – Br at topological distance 7 |

4624 | F07[O-I] | Frequency of O – I at topological distance 7 |

4625 | F07[O-B] | Frequency of O – B at topological distance 7 |

4626 | F07[O-Si] | Frequency of O – Si at topological distance 7 |

4627 | F07[O-X] | Frequency of O – X at topological distance 7 |

4628 | F07[S-S] | Frequency of S – S at topological distance 7 |

4629 | F07[S-P] | Frequency of S – P at topological distance 7 |

4630 | F07[S-F] | Frequency of S – F at topological distance 7 |

4631 | F07[S-Cl] | Frequency of S – Cl at topological distance 7 |

4632 | F07[S-Br] | Frequency of S – Br at topological distance 7 |

4633 | F07[S-I] | Frequency of S – I at topological distance 7 |

4634 | F07[S-B] | Frequency of S – B at topological distance 7 |

4635 | F07[S-Si] | Frequency of S – Si at topological distance 7 |

4636 | F07[S-X] | Frequency of S – X at topological distance 7 |

4637 | F07[P-P] | Frequency of P – P at topological distance 7 |

4638 | F07[P-F] | Frequency of P – F at topological distance 7 |

4639 | F07[P-Cl] | Frequency of P – Cl at topological distance 7 |

4640 | F07[P-Br] | Frequency of P – Br at topological distance 7 |

4641 | F07[P-I] | Frequency of P – I at topological distance 7 |

4642 | F07[P-B] | Frequency of P – B at topological distance 7 |

4643 | F07[P-Si] | Frequency of P – Si at topological distance 7 |

4644 | F07[P-X] | Frequency of P – X at topological distance 7 |

4645 | F07[F-F] | Frequency of F – F at topological distance 7 |

4646 | F07[F-Cl] | Frequency of F – Cl at topological distance 7 |

4647 | F07[F-Br] | Frequency of F – Br at topological distance 7 |

4648 | F07[F-I] | Frequency of F – I at topological distance 7 |

4649 | F07[F-B] | Frequency of F – B at topological distance 7 |

4650 | F07[F-Si] | Frequency of F – Si at topological distance 7 |

4651 | F07[F-X] | Frequency of F – X at topological distance 7 |

4652 | F07[Cl-Cl] | Frequency of Cl – Cl at topological distance 7 |

4653 | F07[Cl-Br] | Frequency of Cl – Br at topological distance 7 |

4654 | F07[Cl-I] | Frequency of Cl – I at topological distance 7 |

4655 | F07[Cl-B] | Frequency of Cl – B at topological distance 7 |

4656 | F07[Cl-Si] | Frequency of Cl – Si at topological distance 7 |

4657 | F07[Cl-X] | Frequency of Cl – X at topological distance 7 |

4658 | F07[Br-Br] | Frequency of Br – Br at topological distance 7 |

4659 | F07[Br-I] | Frequency of Br – I at topological distance 7 |

4660 | F07[Br-B] | Frequency of Br – B at topological distance 7 |

4661 | F07[Br-Si] | Frequency of Br – Si at topological distance 7 |

4662 | F07[Br-X] | Frequency of Br – X at topological distance 7 |

4663 | F07[I-I] | Frequency of I – I at topological distance 7 |

4664 | F07[I-B] | Frequency of I – B at topological distance 7 |

4665 | F07[I-Si] | Frequency of I – Si at topological distance 7 |

4666 | F07[I-X] | Frequency of I – X at topological distance 7 |

4667 | F07[B-B] | Frequency of B – B at topological distance 7 |

4668 | F07[B-Si] | Frequency of B – Si at topological distance 7 |

4669 | F07[B-X] | Frequency of B – X at topological distance 7 |

4670 | F07[Si-Si] | Frequency of Si – Si at topological distance 7 |

4671 | F07[Si-X] | Frequency of Si – X at topological distance 7 |

4672 | F07[X-X] | Frequency of X – X at topological distance 7 |

4673 | F08[C-C] | Frequency of C – C at topological distance 8 |

4674 | F08[C-N] | Frequency of C – N at topological distance 8 |

4675 | F08[C-O] | Frequency of C – O at topological distance 8 |

4676 | F08[C-S] | Frequency of C – S at topological distance 8 |

4677 | F08[C-P] | Frequency of C – P at topological distance 8 |

4678 | F08[C-F] | Frequency of C – F at topological distance 8 |

4679 | F08[C-Cl] | Frequency of C – Cl at topological distance 8 |

4680 | F08[C-Br] | Frequency of C – Br at topological distance 8 |

4681 | F08[C-I] | Frequency of C – I at topological distance 8 |

4682 | F08[C-B] | Frequency of C – B at topological distance 8 |

4683 | F08[C-Si] | Frequency of C – Si at topological distance 8 |

4684 | F08[C-X] | Frequency of C – X at topological distance 8 |

4685 | F08[N-N] | Frequency of N – N at topological distance 8 |

4686 | F08[N-O] | Frequency of N – O at topological distance 8 |

4687 | F08[N-S] | Frequency of N – S at topological distance 8 |

4688 | F08[N-P] | Frequency of N – P at topological distance 8 |

4689 | F08[N-F] | Frequency of N – F at topological distance 8 |

4690 | F08[N-Cl] | Frequency of N – Cl at topological distance 8 |

4691 | F08[N-Br] | Frequency of N – Br at topological distance 8 |

4692 | F08[N-I] | Frequency of N – I at topological distance 8 |

4693 | F08[N-B] | Frequency of N – B at topological distance 8 |

4694 | F08[N-Si] | Frequency of N – Si at topological distance 8 |

4695 | F08[N-X] | Frequency of N – X at topological distance 8 |

4696 | F08[O-O] | Frequency of O – O at topological distance 8 |

4697 | F08[O-S] | Frequency of O – S at topological distance 8 |

4698 | F08[O-P] | Frequency of O – P at topological distance 8 |

4699 | F08[O-F] | Frequency of O – F at topological distance 8 |

4700 | F08[O-Cl] | Frequency of O – Cl at topological distance 8 |

4701 | F08[O-Br] | Frequency of O – Br at topological distance 8 |

4702 | F08[O-I] | Frequency of O – I at topological distance 8 |

4703 | F08[O-B] | Frequency of O – B at topological distance 8 |

4704 | F08[O-Si] | Frequency of O – Si at topological distance 8 |

4705 | F08[O-X] | Frequency of O – X at topological distance 8 |

4706 | F08[S-S] | Frequency of S – S at topological distance 8 |

4707 | F08[S-P] | Frequency of S – P at topological distance 8 |

4708 | F08[S-F] | Frequency of S – F at topological distance 8 |

4709 | F08[S-Cl] | Frequency of S – Cl at topological distance 8 |

4710 | F08[S-Br] | Frequency of S – Br at topological distance 8 |

4711 | F08[S-I] | Frequency of S – I at topological distance 8 |

4712 | F08[S-B] | Frequency of S – B at topological distance 8 |

4713 | F08[S-Si] | Frequency of S – Si at topological distance 8 |

4714 | F08[S-X] | Frequency of S – X at topological distance 8 |

4715 | F08[P-P] | Frequency of P – P at topological distance 8 |

4716 | F08[P-F] | Frequency of P – F at topological distance 8 |

4717 | F08[P-Cl] | Frequency of P – Cl at topological distance 8 |

4718 | F08[P-Br] | Frequency of P – Br at topological distance 8 |

4719 | F08[P-I] | Frequency of P – I at topological distance 8 |

4720 | F08[P-B] | Frequency of P – B at topological distance 8 |

4721 | F08[P-Si] | Frequency of P – Si at topological distance 8 |

4722 | F08[P-X] | Frequency of P – X at topological distance 8 |

4723 | F08[F-F] | Frequency of F – F at topological distance 8 |

4724 | F08[F-Cl] | Frequency of F – Cl at topological distance 8 |

4725 | F08[F-Br] | Frequency of F – Br at topological distance 8 |

4726 | F08[F-I] | Frequency of F – I at topological distance 8 |

4727 | F08[F-B] | Frequency of F – B at topological distance 8 |

4728 | F08[F-Si] | Frequency of F – Si at topological distance 8 |

4729 | F08[F-X] | Frequency of F – X at topological distance 8 |

4730 | F08[Cl-Cl] | Frequency of Cl – Cl at topological distance 8 |

4731 | F08[Cl-Br] | Frequency of Cl – Br at topological distance 8 |

4732 | F08[Cl-I] | Frequency of Cl – I at topological distance 8 |

4733 | F08[Cl-B] | Frequency of Cl – B at topological distance 8 |

4734 | F08[Cl-Si] | Frequency of Cl – Si at topological distance 8 |

4735 | F08[Cl-X] | Frequency of Cl – X at topological distance 8 |

4736 | F08[Br-Br] | Frequency of Br – Br at topological distance 8 |

4737 | F08[Br-I] | Frequency of Br – I at topological distance 8 |

4738 | F08[Br-B] | Frequency of Br – B at topological distance 8 |

4739 | F08[Br-Si] | Frequency of Br – Si at topological distance 8 |

4740 | F08[Br-X] | Frequency of Br – X at topological distance 8 |

4741 | F08[I-I] | Frequency of I – I at topological distance 8 |

4742 | F08[I-B] | Frequency of I – B at topological distance 8 |

4743 | F08[I-Si] | Frequency of I – Si at topological distance 8 |

4744 | F08[I-X] | Frequency of I – X at topological distance 8 |

4745 | F08[B-B] | Frequency of B – B at topological distance 8 |

4746 | F08[B-Si] | Frequency of B – Si at topological distance 8 |

4747 | F08[B-X] | Frequency of B – X at topological distance 8 |

4748 | F08[Si-Si] | Frequency of Si – Si at topological distance 8 |

4749 | F08[Si-X] | Frequency of Si – X at topological distance 8 |

4750 | F08[X-X] | Frequency of X – X at topological distance 8 |

4751 | F09[C-C] | Frequency of C – C at topological distance 9 |

4752 | F09[C-N] | Frequency of C – N at topological distance 9 |

4753 | F09[C-O] | Frequency of C – O at topological distance 9 |

4754 | F09[C-S] | Frequency of C – S at topological distance 9 |

4755 | F09[C-P] | Frequency of C – P at topological distance 9 |

4756 | F09[C-F] | Frequency of C – F at topological distance 9 |

4757 | F09[C-Cl] | Frequency of C – Cl at topological distance 9 |

4758 | F09[C-Br] | Frequency of C – Br at topological distance 9 |

4759 | F09[C-I] | Frequency of C – I at topological distance 9 |

4760 | F09[C-B] | Frequency of C – B at topological distance 9 |

4761 | F09[C-Si] | Frequency of C – Si at topological distance 9 |

4762 | F09[C-X] | Frequency of C – X at topological distance 9 |

4763 | F09[N-N] | Frequency of N – N at topological distance 9 |

4764 | F09[N-O] | Frequency of N – O at topological distance 9 |

4765 | F09[N-S] | Frequency of N – S at topological distance 9 |

4766 | F09[N-P] | Frequency of N – P at topological distance 9 |

4767 | F09[N-F] | Frequency of N – F at topological distance 9 |

4768 | F09[N-Cl] | Frequency of N – Cl at topological distance 9 |

4769 | F09[N-Br] | Frequency of N – Br at topological distance 9 |

4770 | F09[N-I] | Frequency of N – I at topological distance 9 |

4771 | F09[N-B] | Frequency of N – B at topological distance 9 |

4772 | F09[N-Si] | Frequency of N – Si at topological distance 9 |

4773 | F09[N-X] | Frequency of N – X at topological distance 9 |

4774 | F09[O-O] | Frequency of O – O at topological distance 9 |

4775 | F09[O-S] | Frequency of O – S at topological distance 9 |

4776 | F09[O-P] | Frequency of O – P at topological distance 9 |

4777 | F09[O-F] | Frequency of O – F at topological distance 9 |

4778 | F09[O-Cl] | Frequency of O – Cl at topological distance 9 |

4779 | F09[O-Br] | Frequency of O – Br at topological distance 9 |

4780 | F09[O-I] | Frequency of O – I at topological distance 9 |

4781 | F09[O-B] | Frequency of O – B at topological distance 9 |

4782 | F09[O-Si] | Frequency of O – Si at topological distance 9 |

4783 | F09[O-X] | Frequency of O – X at topological distance 9 |

4784 | F09[S-S] | Frequency of S – S at topological distance 9 |

4785 | F09[S-P] | Frequency of S – P at topological distance 9 |

4786 | F09[S-F] | Frequency of S – F at topological distance 9 |

4787 | F09[S-Cl] | Frequency of S – Cl at topological distance 9 |

4788 | F09[S-Br] | Frequency of S – Br at topological distance 9 |

4789 | F09[S-I] | Frequency of S – I at topological distance 9 |

4790 | F09[S-B] | Frequency of S – B at topological distance 9 |

4791 | F09[S-Si] | Frequency of S – Si at topological distance 9 |

4792 | F09[S-X] | Frequency of S – X at topological distance 9 |

4793 | F09[P-P] | Frequency of P – P at topological distance 9 |

4794 | F09[P-F] | Frequency of P – F at topological distance 9 |

4795 | F09[P-Cl] | Frequency of P – Cl at topological distance 9 |

4796 | F09[P-Br] | Frequency of P – Br at topological distance 9 |

4797 | F09[P-I] | Frequency of P – I at topological distance 9 |

4798 | F09[P-B] | Frequency of P – B at topological distance 9 |

4799 | F09[P-Si] | Frequency of P – Si at topological distance 9 |

4800 | F09[P-X] | Frequency of P – X at topological distance 9 |

4801 | F09[F-F] | Frequency of F – F at topological distance 9 |

4802 | F09[F-Cl] | Frequency of F – Cl at topological distance 9 |

4803 | F09[F-Br] | Frequency of F – Br at topological distance 9 |

4804 | F09[F-I] | Frequency of F – I at topological distance 9 |

4805 | F09[F-B] | Frequency of F – B at topological distance 9 |

4806 | F09[F-Si] | Frequency of F – Si at topological distance 9 |

4807 | F09[F-X] | Frequency of F – X at topological distance 9 |

4808 | F09[Cl-Cl] | Frequency of Cl – Cl at topological distance 9 |

4809 | F09[Cl-Br] | Frequency of Cl – Br at topological distance 9 |

4810 | F09[Cl-I] | Frequency of Cl – I at topological distance 9 |

4811 | F09[Cl-B] | Frequency of Cl – B at topological distance 9 |

4812 | F09[Cl-Si] | Frequency of Cl – Si at topological distance 9 |

4813 | F09[Cl-X] | Frequency of Cl – X at topological distance 9 |

4814 | F09[Br-Br] | Frequency of Br – Br at topological distance 9 |

4815 | F09[Br-I] | Frequency of Br – I at topological distance 9 |

4816 | F09[Br-B] | Frequency of Br – B at topological distance 9 |

4817 | F09[Br-Si] | Frequency of Br – Si at topological distance 9 |

4818 | F09[Br-X] | Frequency of Br – X at topological distance 9 |

4819 | F09[I-I] | Frequency of I – I at topological distance 9 |

4820 | F09[I-B] | Frequency of I – B at topological distance 9 |

4821 | F09[I-Si] | Frequency of I – Si at topological distance 9 |

4822 | F09[I-X] | Frequency of I – X at topological distance 9 |

4823 | F09[B-B] | Frequency of B – B at topological distance 9 |

4824 | F09[B-Si] | Frequency of B – Si at topological distance 9 |

4825 | F09[B-X] | Frequency of B – X at topological distance 9 |

4826 | F09[Si-Si] | Frequency of Si – Si at topological distance 9 |

4827 | F09[Si-X] | Frequency of Si – X at topological distance 9 |

4828 | F09[X-X] | Frequency of X – X at topological distance 9 |

4829 | F10[C-C] | Frequency of C – C at topological distance 10 |

4830 | F10[C-N] | Frequency of C – N at topological distance 10 |

4831 | F10[C-O] | Frequency of C – O at topological distance 10 |

4832 | F10[C-S] | Frequency of C – S at topological distance 10 |

4833 | F10[C-P] | Frequency of C – P at topological distance 10 |

4834 | F10[C-F] | Frequency of C – F at topological distance 10 |

4835 | F10[C-Cl] | Frequency of C – Cl at topological distance 10 |

4836 | F10[C-Br] | Frequency of C – Br at topological distance 10 |

4837 | F10[C-I] | Frequency of C – I at topological distance 10 |

4838 | F10[C-B] | Frequency of C – B at topological distance 10 |

4839 | F10[C-Si] | Frequency of C – Si at topological distance 10 |

4840 | F10[C-X] | Frequency of C – X at topological distance 10 |

4841 | F10[N-N] | Frequency of N – N at topological distance 10 |

4842 | F10[N-O] | Frequency of N – O at topological distance 10 |

4843 | F10[N-S] | Frequency of N – S at topological distance 10 |

4844 | F10[N-P] | Frequency of N – P at topological distance 10 |

4845 | F10[N-F] | Frequency of N – F at topological distance 10 |

4846 | F10[N-Cl] | Frequency of N – Cl at topological distance 10 |

4847 | F10[N-Br] | Frequency of N – Br at topological distance 10 |

4848 | F10[N-I] | Frequency of N – I at topological distance 10 |

4849 | F10[N-B] | Frequency of N – B at topological distance 10 |

4850 | F10[N-Si] | Frequency of N – Si at topological distance 10 |

4851 | F10[N-X] | Frequency of N – X at topological distance 10 |

4852 | F10[O-O] | Frequency of O – O at topological distance 10 |

4853 | F10[O-S] | Frequency of O – S at topological distance 10 |

4854 | F10[O-P] | Frequency of O – P at topological distance 10 |

4855 | F10[O-F] | Frequency of O – F at topological distance 10 |

4856 | F10[O-Cl] | Frequency of O – Cl at topological distance 10 |

4857 | F10[O-Br] | Frequency of O – Br at topological distance 10 |

4858 | F10[O-I] | Frequency of O – I at topological distance 10 |

4859 | F10[O-B] | Frequency of O – B at topological distance 10 |

4860 | F10[O-Si] | Frequency of O – Si at topological distance 10 |

4861 | F10[O-X] | Frequency of O – X at topological distance 10 |

4862 | F10[S-S] | Frequency of S – S at topological distance 10 |

4863 | F10[S-P] | Frequency of S – P at topological distance 10 |

4864 | F10[S-F] | Frequency of S – F at topological distance 10 |

4865 | F10[S-Cl] | Frequency of S – Cl at topological distance 10 |

4866 | F10[S-Br] | Frequency of S – Br at topological distance 10 |

4867 | F10[S-I] | Frequency of S – I at topological distance 10 |

4868 | F10[S-B] | Frequency of S – B at topological distance 10 |

4869 | F10[S-Si] | Frequency of S – Si at topological distance 10 |

4870 | F10[S-X] | Frequency of S – X at topological distance 10 |

4871 | F10[P-P] | Frequency of P – P at topological distance 10 |

4872 | F10[P-F] | Frequency of P – F at topological distance 10 |

4873 | F10[P-Cl] | Frequency of P – Cl at topological distance 10 |

4874 | F10[P-Br] | Frequency of P – Br at topological distance 10 |

4875 | F10[P-I] | Frequency of P – I at topological distance 10 |

4876 | F10[P-B] | Frequency of P – B at topological distance 10 |

4877 | F10[P-Si] | Frequency of P – Si at topological distance 10 |

4878 | F10[P-X] | Frequency of P – X at topological distance 10 |

4879 | F10[F-F] | Frequency of F – F at topological distance 10 |

4880 | F10[F-Cl] | Frequency of F – Cl at topological distance 10 |

4881 | F10[F-Br] | Frequency of F – Br at topological distance 10 |

4882 | F10[F-I] | Frequency of F – I at topological distance 10 |

4883 | F10[F-B] | Frequency of F – B at topological distance 10 |

4884 | F10[F-Si] | Frequency of F – Si at topological distance 10 |

4885 | F10[F-X] | Frequency of F – X at topological distance 10 |

4886 | F10[Cl-Cl] | Frequency of Cl – Cl at topological distance 10 |

4887 | F10[Cl-Br] | Frequency of Cl – Br at topological distance 10 |

4888 | F10[Cl-I] | Frequency of Cl – I at topological distance 10 |

4889 | F10[Cl-B] | Frequency of Cl – B at topological distance 10 |

4890 | F10[Cl-Si] | Frequency of Cl – Si at topological distance 10 |

4891 | F10[Cl-X] | Frequency of Cl – X at topological distance 10 |

4892 | F10[Br-Br] | Frequency of Br – Br at topological distance 10 |

4893 | F10[Br-I] | Frequency of Br – I at topological distance 10 |

4894 | F10[Br-B] | Frequency of Br – B at topological distance 10 |

4895 | F10[Br-Si] | Frequency of Br – Si at topological distance 10 |

4896 | F10[Br-X] | Frequency of Br – X at topological distance 10 |

4897 | F10[I-I] | Frequency of I – I at topological distance 10 |

4898 | F10[I-B] | Frequency of I – B at topological distance 10 |

4899 | F10[I-Si] | Frequency of I – Si at topological distance 10 |

4900 | F10[I-X] | Frequency of I – X at topological distance 10 |

4901 | F10[B-B] | Frequency of B – B at topological distance 10 |

4902 | F10[B-Si] | Frequency of B – Si at topological distance 10 |

4903 | F10[B-X] | Frequency of B – X at topological distance 10 |

4904 | F10[Si-Si] | Frequency of Si – Si at topological distance 10 |

4905 | F10[Si-X] | Frequency of Si – X at topological distance 10 |

4906 | F10[X-X] | Frequency of X – X at topological distance 10 |

## 3D Atom Pairs

No. | Name | Description |
---|---|---|

4907 | G(N..N) | sum of geometrical distances between N..N |

4908 | G(N..O) | sum of geometrical distances between N..O |

4909 | G(N..S) | sum of geometrical distances between N..S |

4910 | G(N..P) | sum of geometrical distances between N..P |

4911 | G(N..F) | sum of geometrical distances between N..F |

4912 | G(N..Cl) | sum of geometrical distances between N..Cl |

4913 | G(N..Br) | sum of geometrical distances between N..Br |

4914 | G(N..I) | sum of geometrical distances between N..I |

4915 | G(O..O) | sum of geometrical distances between O..O |

4916 | G(O..S) | sum of geometrical distances between O..S |

4917 | G(O..P) | sum of geometrical distances between O..P |

4918 | G(O..F) | sum of geometrical distances between O..F |

4919 | G(O..Cl) | sum of geometrical distances between O..Cl |

4920 | G(O..Br) | sum of geometrical distances between O..Br |

4921 | G(O..I) | sum of geometrical distances between O..I |

4922 | G(S..S) | sum of geometrical distances between S..S |

4923 | G(S..P) | sum of geometrical distances between S..P |

4924 | G(S..F) | sum of geometrical distances between S..F |

4925 | G(S..Cl) | sum of geometrical distances between S..Cl |

4926 | G(S..Br) | sum of geometrical distances between S..Br |

4927 | G(S..I) | sum of geometrical distances between S..I |

4928 | G(P..P) | sum of geometrical distances between P..P |

4929 | G(P..F) | sum of geometrical distances between P..F |

4930 | G(P..Cl) | sum of geometrical distances between P..Cl |

4931 | G(P..Br) | sum of geometrical distances between P..Br |

4932 | G(P..I) | sum of geometrical distances between P..I |

4933 | G(F..F) | sum of geometrical distances between F..F |

4934 | G(F..Cl) | sum of geometrical distances between F..Cl |

4935 | G(F..Br) | sum of geometrical distances between F..Br |

4936 | G(F..I) | sum of geometrical distances between F..I |

4937 | G(Cl..Cl) | sum of geometrical distances between Cl..Cl |

4938 | G(Cl..Br) | sum of geometrical distances between Cl..Br |

4939 | G(Cl..I) | sum of geometrical distances between Cl..I |

4940 | G(Br..Br) | sum of geometrical distances between Br..Br |

4941 | G(Br..I) | sum of geometrical distances between Br..I |

4942 | G(I..I) | sum of geometrical distances between I..I |

## Charge descriptors

No. | Name | Description |
---|---|---|

4943 | qpmax | maximum positive charge |

4944 | qnmax | maximum negative charge |

4945 | Qpos | total positive charge |

4946 | Qneg | total negative charge |

4947 | Qtot | total absolute charge (electronic charge index – ECI) |

4948 | Qmean | mean absolute charge (charge polarization) |

4949 | Q2 | total squared charge |

4950 | RPCG | relative positive charge |

4951 | RNCG | relative negative charge |

4952 | SPP | submolecular polarity parameter |

4953 | TE1 | topographic electronic descriptor |

4954 | TE2 | topographic electronic descriptor (bond resctricted) |

4955 | PCWTE1 | partial charge weighted topological electronic index |

4956 | PCWTE2 | partial charge weighted topological electronic index (bond resctricted) |

4957 | LDI | local dipole index |

## Molecular properties

No. | Name | Description | |
---|---|---|---|

4958 | Uc | unsaturation count | Molecular properties |

4959 | Ui | unsaturation index | Molecular properties |

4960 | Hy | hydrophilic factor | Molecular properties |

4961 | AMR | Ghose-Crippen molar refractivity | Molecular properties |

4962 | TPSA(NO) | topological polar surface area using N,O polar contributions | Molecular properties |

4963 | TPSA(Tot) | topological polar surface area using N,O,S,P polar contributions | Molecular properties |

4964 | MLOGP | Moriguchi octanol-water partition coeff. (logP) | Molecular properties |

4965 | MLOGP2 | squared Moriguchi octanol-water partition coeff. (logP^2) | Molecular properties |

4966 | ALOGP | Ghose-Crippen octanol-water partition coeff. (logP) | Molecular properties |

4967 | ALOGP2 | squared Ghose-Crippen octanol-water partition coeff. (logP^2) | Molecular properties |

4968 | SAtot | total surface area from P_VSA-like descriptors | Molecular properties |

4969 | SAacc | surface area of acceptor atoms from P_VSA-like descriptors | Molecular properties |

4970 | SAdon | surface area of donor atoms from P_VSA-like descriptors | Molecular properties |

4971 | Vx | McGowan volume | Molecular properties |

4972 | VvdwMG | van der Waals volume from McGowan volume | Molecular properties |

4973 | VvdwZAZ | van der Waals volume from Zhao-Abraham-Zissimos equation | Molecular properties |

4974 | PDI | packing density index | Molecular properties |

4975 | BLTF96 | Verhaar Fish base-line toxicity from MLOGP (mmol/l) | Molecular properties |

4976 | BLTD48 | Verhaar Daphnia base-line toxicity from MLOGP (mmol/l) | Molecular properties |

4977 | BLTA96 | Verhaar Algae base-line toxicity from MLOGP (mmol/l) | Molecular properties |

## Drug-like indices

No. | Name | Description |
---|---|---|

4978 | Ro5 | Lipinski Rule of 5 |

4979 | cRo5 | Complementary Lipinski Alert index |

4980 | DLS_01 | modified drug-like score from Lipinski (4 rules) |

4981 | DLS_02 | modified drug-like score from Oprea et al. (6 rules) |

4982 | DLS_03 | modified drug-like score from Walters et al. (6 rules) |

4983 | DLS_04 | modified drug-like score from Chen et al. (7 rules) |

4984 | DLS_05 | modified drug-like score from Zheng et al. (2 rules) |

4985 | DLS_06 | modified drug-like score from Rishton (6 rules) |

4986 | DLS_07 | modified drug-like score from Veber et al. (2 rules) |

4987 | DLS_cons | DRAGON consensus drug-like score |

4988 | LLS_01 | modified lead-like score from Congreve et al. (6 rules) |

4989 | LLS_02 | modified lead-like score from Monge et al. (8 rules) |

4990 | CMC-80 | Ghose-Viswanadhan-Wendoloski CMC drug-like index at 80% |

4991 | CMC-50 | Ghose-Viswanadhan-Wendoloski CMC drug-like index at 50% |

4992 | Inflammat-80 | Ghose-Viswanadhan-Wendoloski antiinflammatory-like index at 80% |

4993 | Inflammat-50 | Ghose-Viswanadhan-Wendoloski antiinflammatory-like index at 50% |

4994 | Depressant-80 | Ghose-Viswanadhan-Wendoloski antidepressant-like index at 80% |

4995 | Depressant-50 | Ghose-Viswanadhan-Wendoloski antidepressant-like index at 50% |

4996 | Psychotic-80 | Ghose-Viswanadhan-Wendoloski antipsychotic-like index at 80% |

4997 | Psychotic-50 | Ghose-Viswanadhan-Wendoloski antipsychotic-like index at 50% |

4998 | Hypertens-80 | Ghose-Viswanadhan-Wendoloski antihypertensive-like index at 80% |

4999 | Hypertens-50 | Ghose-Viswanadhan-Wendoloski antihypertensive-like index at 50% |

5000 | Hypnotic-80 | Ghose-Viswanadhan-Wendoloski hypnotic-like index at 80% |

5001 | Hypnotic-50 | Ghose-Viswanadhan-Wendoloski hypnotic-like index at 50% |

5002 | Neoplastic-80 | Ghose-Viswanadhan-Wendoloski antineoplastic-like index at 80% |

5003 | Neoplastic-50 | Ghose-Viswanadhan-Wendoloski antineoplastic-like index at 50% |

5004 | Infective-80 | Ghose-Viswanadhan-Wendoloski antiinfective-like index at 80% |

5005 | Infective-50 | Ghose-Viswanadhan-Wendoloski antiinfective-like index at 50% |

## CATS 3D descriptors

No. | Name | Description |
---|---|---|

5006 | CATS3D_00_DD | CATS3D Donor-Donor BIN 00 (0.000 – 1.000 Å) |

5007 | CATS3D_01_DD | CATS3D Donor-Donor BIN 01 (1.000 – 2.000 Å) |

5008 | CATS3D_02_DD | CATS3D Donor-Donor BIN 02 (2.000 – 3.000 Å) |

5009 | CATS3D_03_DD | CATS3D Donor-Donor BIN 03 (3.000 – 4.000 Å) |

5010 | CATS3D_04_DD | CATS3D Donor-Donor BIN 04 (4.000 – 5.000 Å) |

5011 | CATS3D_05_DD | CATS3D Donor-Donor BIN 05 (5.000 – 6.000 Å) |

5012 | CATS3D_06_DD | CATS3D Donor-Donor BIN 06 (6.000 – 7.000 Å) |

5013 | CATS3D_07_DD | CATS3D Donor-Donor BIN 07 (7.000 – 8.000 Å) |

5014 | CATS3D_08_DD | CATS3D Donor-Donor BIN 08 (8.000 – 9.000 Å) |

5015 | CATS3D_09_DD | CATS3D Donor-Donor BIN 09 (9.000 – 10.000 Å) |

5016 | CATS3D_10_DD | CATS3D Donor-Donor BIN 10 (10.000 – 11.000 Å) |

5017 | CATS3D_11_DD | CATS3D Donor-Donor BIN 11 (11.000 – 12.000 Å) |

5018 | CATS3D_12_DD | CATS3D Donor-Donor BIN 12 (12.000 – 13.000 Å) |

5019 | CATS3D_13_DD | CATS3D Donor-Donor BIN 13 (13.000 – 14.000 Å) |

5020 | CATS3D_14_DD | CATS3D Donor-Donor BIN 14 (14.000 – 15.000 Å) |

5021 | CATS3D_15_DD | CATS3D Donor-Donor BIN 15 (15.000 – 16.000 Å) |

5022 | CATS3D_16_DD | CATS3D Donor-Donor BIN 16 (16.000 – 17.000 Å) |

5023 | CATS3D_17_DD | CATS3D Donor-Donor BIN 17 (17.000 – 18.000 Å) |

5024 | CATS3D_18_DD | CATS3D Donor-Donor BIN 18 (18.000 – 19.000 Å) |

5025 | CATS3D_19_DD | CATS3D Donor-Donor BIN 19 (19.000 – 20.000 Å) |

5026 | CATS3D_00_DA | CATS3D Donor-Acceptor BIN 00 (0.000 – 1.000 Å) |

5027 | CATS3D_01_DA | CATS3D Donor-Acceptor BIN 01 (1.000 – 2.000 Å) |

5028 | CATS3D_02_DA | CATS3D Donor-Acceptor BIN 02 (2.000 – 3.000 Å) |

5029 | CATS3D_03_DA | CATS3D Donor-Acceptor BIN 03 (3.000 – 4.000 Å) |

5030 | CATS3D_04_DA | CATS3D Donor-Acceptor BIN 04 (4.000 – 5.000 Å) |

5031 | CATS3D_05_DA | CATS3D Donor-Acceptor BIN 05 (5.000 – 6.000 Å) |

5032 | CATS3D_06_DA | CATS3D Donor-Acceptor BIN 06 (6.000 – 7.000 Å) |

5033 | CATS3D_07_DA | CATS3D Donor-Acceptor BIN 07 (7.000 – 8.000 Å) |

5034 | CATS3D_08_DA | CATS3D Donor-Acceptor BIN 08 (8.000 – 9.000 Å) |

5035 | CATS3D_09_DA | CATS3D Donor-Acceptor BIN 09 (9.000 – 10.000 Å) |

5036 | CATS3D_10_DA | CATS3D Donor-Acceptor BIN 10 (10.000 – 11.000 Å) |

5037 | CATS3D_11_DA | CATS3D Donor-Acceptor BIN 11 (11.000 – 12.000 Å) |

5038 | CATS3D_12_DA | CATS3D Donor-Acceptor BIN 12 (12.000 – 13.000 Å) |

5039 | CATS3D_13_DA | CATS3D Donor-Acceptor BIN 13 (13.000 – 14.000 Å) |

5040 | CATS3D_14_DA | CATS3D Donor-Acceptor BIN 14 (14.000 – 15.000 Å) |

5041 | CATS3D_15_DA | CATS3D Donor-Acceptor BIN 15 (15.000 – 16.000 Å) |

5042 | CATS3D_16_DA | CATS3D Donor-Acceptor BIN 16 (16.000 – 17.000 Å) |

5043 | CATS3D_17_DA | CATS3D Donor-Acceptor BIN 17 (17.000 – 18.000 Å) |

5044 | CATS3D_18_DA | CATS3D Donor-Acceptor BIN 18 (18.000 – 19.000 Å) |

5045 | CATS3D_19_DA | CATS3D Donor-Acceptor BIN 19 (19.000 – 20.000 Å) |

5046 | CATS3D_00_DP | CATS3D Donor-Positive BIN 00 (0.000 – 1.000 Å) |

5047 | CATS3D_01_DP | CATS3D Donor-Positive BIN 01 (1.000 – 2.000 Å) |

5048 | CATS3D_02_DP | CATS3D Donor-Positive BIN 02 (2.000 – 3.000 Å) |

5049 | CATS3D_03_DP | CATS3D Donor-Positive BIN 03 (3.000 – 4.000 Å) |

5050 | CATS3D_04_DP | CATS3D Donor-Positive BIN 04 (4.000 – 5.000 Å) |

5051 | CATS3D_05_DP | CATS3D Donor-Positive BIN 05 (5.000 – 6.000 Å) |

5052 | CATS3D_06_DP | CATS3D Donor-Positive BIN 06 (6.000 – 7.000 Å) |

5053 | CATS3D_07_DP | CATS3D Donor-Positive BIN 07 (7.000 – 8.000 Å) |

5054 | CATS3D_08_DP | CATS3D Donor-Positive BIN 08 (8.000 – 9.000 Å) |

5055 | CATS3D_09_DP | CATS3D Donor-Positive BIN 09 (9.000 – 10.000 Å) |

5056 | CATS3D_10_DP | CATS3D Donor-Positive BIN 10 (10.000 – 11.000 Å) |

5057 | CATS3D_11_DP | CATS3D Donor-Positive BIN 11 (11.000 – 12.000 Å) |

5058 | CATS3D_12_DP | CATS3D Donor-Positive BIN 12 (12.000 – 13.000 Å) |

5059 | CATS3D_13_DP | CATS3D Donor-Positive BIN 13 (13.000 – 14.000 Å) |

5060 | CATS3D_14_DP | CATS3D Donor-Positive BIN 14 (14.000 – 15.000 Å) |

5061 | CATS3D_15_DP | CATS3D Donor-Positive BIN 15 (15.000 – 16.000 Å) |

5062 | CATS3D_16_DP | CATS3D Donor-Positive BIN 16 (16.000 – 17.000 Å) |

5063 | CATS3D_17_DP | CATS3D Donor-Positive BIN 17 (17.000 – 18.000 Å) |

5064 | CATS3D_18_DP | CATS3D Donor-Positive BIN 18 (18.000 – 19.000 Å) |

5065 | CATS3D_19_DP | CATS3D Donor-Positive BIN 19 (19.000 – 20.000 Å) |

5066 | CATS3D_00_DN | CATS3D Donor-Negative BIN 00 (0.000 – 1.000 Å) |

5067 | CATS3D_01_DN | CATS3D Donor-Negative BIN 01 (1.000 – 2.000 Å) |

5068 | CATS3D_02_DN | CATS3D Donor-Negative BIN 02 (2.000 – 3.000 Å) |

5069 | CATS3D_03_DN | CATS3D Donor-Negative BIN 03 (3.000 – 4.000 Å) |

5070 | CATS3D_04_DN | CATS3D Donor-Negative BIN 04 (4.000 – 5.000 Å) |

5071 | CATS3D_05_DN | CATS3D Donor-Negative BIN 05 (5.000 – 6.000 Å) |

5072 | CATS3D_06_DN | CATS3D Donor-Negative BIN 06 (6.000 – 7.000 Å) |

5073 | CATS3D_07_DN | CATS3D Donor-Negative BIN 07 (7.000 – 8.000 Å) |

5074 | CATS3D_08_DN | CATS3D Donor-Negative BIN 08 (8.000 – 9.000 Å) |

5075 | CATS3D_09_DN | CATS3D Donor-Negative BIN 09 (9.000 – 10.000 Å) |

5076 | CATS3D_10_DN | CATS3D Donor-Negative BIN 10 (10.000 – 11.000 Å) |

5077 | CATS3D_11_DN | CATS3D Donor-Negative BIN 11 (11.000 – 12.000 Å) |

5078 | CATS3D_12_DN | CATS3D Donor-Negative BIN 12 (12.000 – 13.000 Å) |

5079 | CATS3D_13_DN | CATS3D Donor-Negative BIN 13 (13.000 – 14.000 Å) |

5080 | CATS3D_14_DN | CATS3D Donor-Negative BIN 14 (14.000 – 15.000 Å) |

5081 | CATS3D_15_DN | CATS3D Donor-Negative BIN 15 (15.000 – 16.000 Å) |

5082 | CATS3D_16_DN | CATS3D Donor-Negative BIN 16 (16.000 – 17.000 Å) |

5083 | CATS3D_17_DN | CATS3D Donor-Negative BIN 17 (17.000 – 18.000 Å) |

5084 | CATS3D_18_DN | CATS3D Donor-Negative BIN 18 (18.000 – 19.000 Å) |

5085 | CATS3D_19_DN | CATS3D Donor-Negative BIN 19 (19.000 – 20.000 Å) |

5086 | CATS3D_00_DL | CATS3D Donor-Lipophilic BIN 00 (0.000 – 1.000 Å) |

5087 | CATS3D_01_DL | CATS3D Donor-Lipophilic BIN 01 (1.000 – 2.000 Å) |

5088 | CATS3D_02_DL | CATS3D Donor-Lipophilic BIN 02 (2.000 – 3.000 Å) |

5089 | CATS3D_03_DL | CATS3D Donor-Lipophilic BIN 03 (3.000 – 4.000 Å) |

5090 | CATS3D_04_DL | CATS3D Donor-Lipophilic BIN 04 (4.000 – 5.000 Å) |

5091 | CATS3D_05_DL | CATS3D Donor-Lipophilic BIN 05 (5.000 – 6.000 Å) |

5092 | CATS3D_06_DL | CATS3D Donor-Lipophilic BIN 06 (6.000 – 7.000 Å) |

5093 | CATS3D_07_DL | CATS3D Donor-Lipophilic BIN 07 (7.000 – 8.000 Å) |

5094 | CATS3D_08_DL | CATS3D Donor-Lipophilic BIN 08 (8.000 – 9.000 Å) |

5095 | CATS3D_09_DL | CATS3D Donor-Lipophilic BIN 09 (9.000 – 10.000 Å) |

5096 | CATS3D_10_DL | CATS3D Donor-Lipophilic BIN 10 (10.000 – 11.000 Å) |

5097 | CATS3D_11_DL | CATS3D Donor-Lipophilic BIN 11 (11.000 – 12.000 Å) |

5098 | CATS3D_12_DL | CATS3D Donor-Lipophilic BIN 12 (12.000 – 13.000 Å) |

5099 | CATS3D_13_DL | CATS3D Donor-Lipophilic BIN 13 (13.000 – 14.000 Å) |

5100 | CATS3D_14_DL | CATS3D Donor-Lipophilic BIN 14 (14.000 – 15.000 Å) |

5101 | CATS3D_15_DL | CATS3D Donor-Lipophilic BIN 15 (15.000 – 16.000 Å) |

5102 | CATS3D_16_DL | CATS3D Donor-Lipophilic BIN 16 (16.000 – 17.000 Å) |

5103 | CATS3D_17_DL | CATS3D Donor-Lipophilic BIN 17 (17.000 – 18.000 Å) |

5104 | CATS3D_18_DL | CATS3D Donor-Lipophilic BIN 18 (18.000 – 19.000 Å) |

5105 | CATS3D_19_DL | CATS3D Donor-Lipophilic BIN 19 (19.000 – 20.000 Å) |

5106 | CATS3D_00_AA | CATS3D Acceptor-Acceptor BIN 00 (0.000 – 1.000 Å) |

5107 | CATS3D_01_AA | CATS3D Acceptor-Acceptor BIN 01 (1.000 – 2.000 Å) |

5108 | CATS3D_02_AA | CATS3D Acceptor-Acceptor BIN 02 (2.000 – 3.000 Å) |

5109 | CATS3D_03_AA | CATS3D Acceptor-Acceptor BIN 03 (3.000 – 4.000 Å) |

5110 | CATS3D_04_AA | CATS3D Acceptor-Acceptor BIN 04 (4.000 – 5.000 Å) |

5111 | CATS3D_05_AA | CATS3D Acceptor-Acceptor BIN 05 (5.000 – 6.000 Å) |

5112 | CATS3D_06_AA | CATS3D Acceptor-Acceptor BIN 06 (6.000 – 7.000 Å) |

5113 | CATS3D_07_AA | CATS3D Acceptor-Acceptor BIN 07 (7.000 – 8.000 Å) |

5114 | CATS3D_08_AA | CATS3D Acceptor-Acceptor BIN 08 (8.000 – 9.000 Å) |

5115 | CATS3D_09_AA | CATS3D Acceptor-Acceptor BIN 09 (9.000 – 10.000 Å) |

5116 | CATS3D_10_AA | CATS3D Acceptor-Acceptor BIN 10 (10.000 – 11.000 Å) |

5117 | CATS3D_11_AA | CATS3D Acceptor-Acceptor BIN 11 (11.000 – 12.000 Å) |

5118 | CATS3D_12_AA | CATS3D Acceptor-Acceptor BIN 12 (12.000 – 13.000 Å) |

5119 | CATS3D_13_AA | CATS3D Acceptor-Acceptor BIN 13 (13.000 – 14.000 Å) |

5120 | CATS3D_14_AA | CATS3D Acceptor-Acceptor BIN 14 (14.000 – 15.000 Å) |

5121 | CATS3D_15_AA | CATS3D Acceptor-Acceptor BIN 15 (15.000 – 16.000 Å) |

5122 | CATS3D_16_AA | CATS3D Acceptor-Acceptor BIN 16 (16.000 – 17.000 Å) |

5123 | CATS3D_17_AA | CATS3D Acceptor-Acceptor BIN 17 (17.000 – 18.000 Å) |

5124 | CATS3D_18_AA | CATS3D Acceptor-Acceptor BIN 18 (18.000 – 19.000 Å) |

5125 | CATS3D_19_AA | CATS3D Acceptor-Acceptor BIN 19 (19.000 – 20.000 Å) |

5126 | CATS3D_00_AP | CATS3D Acceptor-Positive BIN 00 (0.000 – 1.000 Å) |

5127 | CATS3D_01_AP | CATS3D Acceptor-Positive BIN 01 (1.000 – 2.000 Å) |

5128 | CATS3D_02_AP | CATS3D Acceptor-Positive BIN 02 (2.000 – 3.000 Å) |

5129 | CATS3D_03_AP | CATS3D Acceptor-Positive BIN 03 (3.000 – 4.000 Å) |

5130 | CATS3D_04_AP | CATS3D Acceptor-Positive BIN 04 (4.000 – 5.000 Å) |

5131 | CATS3D_05_AP | CATS3D Acceptor-Positive BIN 05 (5.000 – 6.000 Å) |

5132 | CATS3D_06_AP | CATS3D Acceptor-Positive BIN 06 (6.000 – 7.000 Å) |

5133 | CATS3D_07_AP | CATS3D Acceptor-Positive BIN 07 (7.000 – 8.000 Å) |

5134 | CATS3D_08_AP | CATS3D Acceptor-Positive BIN 08 (8.000 – 9.000 Å) |

5135 | CATS3D_09_AP | CATS3D Acceptor-Positive BIN 09 (9.000 – 10.000 Å) |

5136 | CATS3D_10_AP | CATS3D Acceptor-Positive BIN 10 (10.000 – 11.000 Å) |

5137 | CATS3D_11_AP | CATS3D Acceptor-Positive BIN 11 (11.000 – 12.000 Å) |

5138 | CATS3D_12_AP | CATS3D Acceptor-Positive BIN 12 (12.000 – 13.000 Å) |

5139 | CATS3D_13_AP | CATS3D Acceptor-Positive BIN 13 (13.000 – 14.000 Å) |

5140 | CATS3D_14_AP | CATS3D Acceptor-Positive BIN 14 (14.000 – 15.000 Å) |

5141 | CATS3D_15_AP | CATS3D Acceptor-Positive BIN 15 (15.000 – 16.000 Å) |

5142 | CATS3D_16_AP | CATS3D Acceptor-Positive BIN 16 (16.000 – 17.000 Å) |

5143 | CATS3D_17_AP | CATS3D Acceptor-Positive BIN 17 (17.000 – 18.000 Å) |

5144 | CATS3D_18_AP | CATS3D Acceptor-Positive BIN 18 (18.000 – 19.000 Å) |

5145 | CATS3D_19_AP | CATS3D Acceptor-Positive BIN 19 (19.000 – 20.000 Å) |

5146 | CATS3D_00_AN | CATS3D Acceptor-Negative BIN 00 (0.000 – 1.000 Å) |

5147 | CATS3D_01_AN | CATS3D Acceptor-Negative BIN 01 (1.000 – 2.000 Å) |

5148 | CATS3D_02_AN | CATS3D Acceptor-Negative BIN 02 (2.000 – 3.000 Å) |

5149 | CATS3D_03_AN | CATS3D Acceptor-Negative BIN 03 (3.000 – 4.000 Å) |

5150 | CATS3D_04_AN | CATS3D Acceptor-Negative BIN 04 (4.000 – 5.000 Å) |

5151 | CATS3D_05_AN | CATS3D Acceptor-Negative BIN 05 (5.000 – 6.000 Å) |

5152 | CATS3D_06_AN | CATS3D Acceptor-Negative BIN 06 (6.000 – 7.000 Å) |

5153 | CATS3D_07_AN | CATS3D Acceptor-Negative BIN 07 (7.000 – 8.000 Å) |

5154 | CATS3D_08_AN | CATS3D Acceptor-Negative BIN 08 (8.000 – 9.000 Å) |

5155 | CATS3D_09_AN | CATS3D Acceptor-Negative BIN 09 (9.000 – 10.000 Å) |

5156 | CATS3D_10_AN | CATS3D Acceptor-Negative BIN 10 (10.000 – 11.000 Å) |

5157 | CATS3D_11_AN | CATS3D Acceptor-Negative BIN 11 (11.000 – 12.000 Å) |

5158 | CATS3D_12_AN | CATS3D Acceptor-Negative BIN 12 (12.000 – 13.000 Å) |

5159 | CATS3D_13_AN | CATS3D Acceptor-Negative BIN 13 (13.000 – 14.000 Å) |

5160 | CATS3D_14_AN | CATS3D Acceptor-Negative BIN 14 (14.000 – 15.000 Å) |

5161 | CATS3D_15_AN | CATS3D Acceptor-Negative BIN 15 (15.000 – 16.000 Å) |

5162 | CATS3D_16_AN | CATS3D Acceptor-Negative BIN 16 (16.000 – 17.000 Å) |

5163 | CATS3D_17_AN | CATS3D Acceptor-Negative BIN 17 (17.000 – 18.000 Å) |

5164 | CATS3D_18_AN | CATS3D Acceptor-Negative BIN 18 (18.000 – 19.000 Å) |

5165 | CATS3D_19_AN | CATS3D Acceptor-Negative BIN 19 (19.000 – 20.000 Å) |

5166 | CATS3D_00_AL | CATS3D Acceptor-Lipophilic BIN 00 (0.000 – 1.000 Å) |

5167 | CATS3D_01_AL | CATS3D Acceptor-Lipophilic BIN 01 (1.000 – 2.000 Å) |

5168 | CATS3D_02_AL | CATS3D Acceptor-Lipophilic BIN 02 (2.000 – 3.000 Å) |

5169 | CATS3D_03_AL | CATS3D Acceptor-Lipophilic BIN 03 (3.000 – 4.000 Å) |

5170 | CATS3D_04_AL | CATS3D Acceptor-Lipophilic BIN 04 (4.000 – 5.000 Å) |

5171 | CATS3D_05_AL | CATS3D Acceptor-Lipophilic BIN 05 (5.000 – 6.000 Å) |

5172 | CATS3D_06_AL | CATS3D Acceptor-Lipophilic BIN 06 (6.000 – 7.000 Å) |

5173 | CATS3D_07_AL | CATS3D Acceptor-Lipophilic BIN 07 (7.000 – 8.000 Å) |

5174 | CATS3D_08_AL | CATS3D Acceptor-Lipophilic BIN 08 (8.000 – 9.000 Å) |

5175 | CATS3D_09_AL | CATS3D Acceptor-Lipophilic BIN 09 (9.000 – 10.000 Å) |

5176 | CATS3D_10_AL | CATS3D Acceptor-Lipophilic BIN 10 (10.000 – 11.000 Å) |

5177 | CATS3D_11_AL | CATS3D Acceptor-Lipophilic BIN 11 (11.000 – 12.000 Å) |

5178 | CATS3D_12_AL | CATS3D Acceptor-Lipophilic BIN 12 (12.000 – 13.000 Å) |

5179 | CATS3D_13_AL | CATS3D Acceptor-Lipophilic BIN 13 (13.000 – 14.000 Å) |

5180 | CATS3D_14_AL | CATS3D Acceptor-Lipophilic BIN 14 (14.000 – 15.000 Å) |

5181 | CATS3D_15_AL | CATS3D Acceptor-Lipophilic BIN 15 (15.000 – 16.000 Å) |

5182 | CATS3D_16_AL | CATS3D Acceptor-Lipophilic BIN 16 (16.000 – 17.000 Å) |

5183 | CATS3D_17_AL | CATS3D Acceptor-Lipophilic BIN 17 (17.000 – 18.000 Å) |

5184 | CATS3D_18_AL | CATS3D Acceptor-Lipophilic BIN 18 (18.000 – 19.000 Å) |

5185 | CATS3D_19_AL | CATS3D Acceptor-Lipophilic BIN 19 (19.000 – 20.000 Å) |

5186 | CATS3D_00_PP | CATS3D Positive-Positive BIN 00 (0.000 – 1.000 Å) |

5187 | CATS3D_01_PP | CATS3D Positive-Positive BIN 01 (1.000 – 2.000 Å) |

5188 | CATS3D_02_PP | CATS3D Positive-Positive BIN 02 (2.000 – 3.000 Å) |

5189 | CATS3D_03_PP | CATS3D Positive-Positive BIN 03 (3.000 – 4.000 Å) |

5190 | CATS3D_04_PP | CATS3D Positive-Positive BIN 04 (4.000 – 5.000 Å) |

5191 | CATS3D_05_PP | CATS3D Positive-Positive BIN 05 (5.000 – 6.000 Å) |

5192 | CATS3D_06_PP | CATS3D Positive-Positive BIN 06 (6.000 – 7.000 Å) |

5193 | CATS3D_07_PP | CATS3D Positive-Positive BIN 07 (7.000 – 8.000 Å) |

5194 | CATS3D_08_PP | CATS3D Positive-Positive BIN 08 (8.000 – 9.000 Å) |

5195 | CATS3D_09_PP | CATS3D Positive-Positive BIN 09 (9.000 – 10.000 Å) |

5196 | CATS3D_10_PP | CATS3D Positive-Positive BIN 10 (10.000 – 11.000 Å) |

5197 | CATS3D_11_PP | CATS3D Positive-Positive BIN 11 (11.000 – 12.000 Å) |

5198 | CATS3D_12_PP | CATS3D Positive-Positive BIN 12 (12.000 – 13.000 Å) |

5199 | CATS3D_13_PP | CATS3D Positive-Positive BIN 13 (13.000 – 14.000 Å) |

5200 | CATS3D_14_PP | CATS3D Positive-Positive BIN 14 (14.000 – 15.000 Å) |

5201 | CATS3D_15_PP | CATS3D Positive-Positive BIN 15 (15.000 – 16.000 Å) |

5202 | CATS3D_16_PP | CATS3D Positive-Positive BIN 16 (16.000 – 17.000 Å) |

5203 | CATS3D_17_PP | CATS3D Positive-Positive BIN 17 (17.000 – 18.000 Å) |

5204 | CATS3D_18_PP | CATS3D Positive-Positive BIN 18 (18.000 – 19.000 Å) |

5205 | CATS3D_19_PP | CATS3D Positive-Positive BIN 19 (19.000 – 20.000 Å) |

5206 | CATS3D_00_PN | CATS3D Positive-Negative BIN 00 (0.000 – 1.000 Å) |

5207 | CATS3D_01_PN | CATS3D Positive-Negative BIN 01 (1.000 – 2.000 Å) |

5208 | CATS3D_02_PN | CATS3D Positive-Negative BIN 02 (2.000 – 3.000 Å) |

5209 | CATS3D_03_PN | CATS3D Positive-Negative BIN 03 (3.000 – 4.000 Å) |

5210 | CATS3D_04_PN | CATS3D Positive-Negative BIN 04 (4.000 – 5.000 Å) |

5211 | CATS3D_05_PN | CATS3D Positive-Negative BIN 05 (5.000 – 6.000 Å) |

5212 | CATS3D_06_PN | CATS3D Positive-Negative BIN 06 (6.000 – 7.000 Å) |

5213 | CATS3D_07_PN | CATS3D Positive-Negative BIN 07 (7.000 – 8.000 Å) |

5214 | CATS3D_08_PN | CATS3D Positive-Negative BIN 08 (8.000 – 9.000 Å) |

5215 | CATS3D_09_PN | CATS3D Positive-Negative BIN 09 (9.000 – 10.000 Å) |

5216 | CATS3D_10_PN | CATS3D Positive-Negative BIN 10 (10.000 – 11.000 Å) |

5217 | CATS3D_11_PN | CATS3D Positive-Negative BIN 11 (11.000 – 12.000 Å) |

5218 | CATS3D_12_PN | CATS3D Positive-Negative BIN 12 (12.000 – 13.000 Å) |

5219 | CATS3D_13_PN | CATS3D Positive-Negative BIN 13 (13.000 – 14.000 Å) |

5220 | CATS3D_14_PN | CATS3D Positive-Negative BIN 14 (14.000 – 15.000 Å) |

5221 | CATS3D_15_PN | CATS3D Positive-Negative BIN 15 (15.000 – 16.000 Å) |

5222 | CATS3D_16_PN | CATS3D Positive-Negative BIN 16 (16.000 – 17.000 Å) |

5223 | CATS3D_17_PN | CATS3D Positive-Negative BIN 17 (17.000 – 18.000 Å) |

5224 | CATS3D_18_PN | CATS3D Positive-Negative BIN 18 (18.000 – 19.000 Å) |

5225 | CATS3D_19_PN | CATS3D Positive-Negative BIN 19 (19.000 – 20.000 Å) |

5226 | CATS3D_00_PL | CATS3D Positive-Lipophilic BIN 00 (0.000 – 1.000 Å) |

5227 | CATS3D_01_PL | CATS3D Positive-Lipophilic BIN 01 (1.000 – 2.000 Å) |

5228 | CATS3D_02_PL | CATS3D Positive-Lipophilic BIN 02 (2.000 – 3.000 Å) |

5229 | CATS3D_03_PL | CATS3D Positive-Lipophilic BIN 03 (3.000 – 4.000 Å) |

5230 | CATS3D_04_PL | CATS3D Positive-Lipophilic BIN 04 (4.000 – 5.000 Å) |

5231 | CATS3D_05_PL | CATS3D Positive-Lipophilic BIN 05 (5.000 – 6.000 Å) |

5232 | CATS3D_06_PL | CATS3D Positive-Lipophilic BIN 06 (6.000 – 7.000 Å) |

5233 | CATS3D_07_PL | CATS3D Positive-Lipophilic BIN 07 (7.000 – 8.000 Å) |

5234 | CATS3D_08_PL | CATS3D Positive-Lipophilic BIN 08 (8.000 – 9.000 Å) |

5235 | CATS3D_09_PL | CATS3D Positive-Lipophilic BIN 09 (9.000 – 10.000 Å) |

5236 | CATS3D_10_PL | CATS3D Positive-Lipophilic BIN 10 (10.000 – 11.000 Å) |

5237 | CATS3D_11_PL | CATS3D Positive-Lipophilic BIN 11 (11.000 – 12.000 Å) |

5238 | CATS3D_12_PL | CATS3D Positive-Lipophilic BIN 12 (12.000 – 13.000 Å) |

5239 | CATS3D_13_PL | CATS3D Positive-Lipophilic BIN 13 (13.000 – 14.000 Å) |

5240 | CATS3D_14_PL | CATS3D Positive-Lipophilic BIN 14 (14.000 – 15.000 Å) |

5241 | CATS3D_15_PL | CATS3D Positive-Lipophilic BIN 15 (15.000 – 16.000 Å) |

5242 | CATS3D_16_PL | CATS3D Positive-Lipophilic BIN 16 (16.000 – 17.000 Å) |

5243 | CATS3D_17_PL | CATS3D Positive-Lipophilic BIN 17 (17.000 – 18.000 Å) |

5244 | CATS3D_18_PL | CATS3D Positive-Lipophilic BIN 18 (18.000 – 19.000 Å) |

5245 | CATS3D_19_PL | CATS3D Positive-Lipophilic BIN 19 (19.000 – 20.000 Å) |

5246 | CATS3D_00_NN | CATS3D Negative-Negative BIN 00 (0.000 – 1.000 Å) |

5247 | CATS3D_01_NN | CATS3D Negative-Negative BIN 01 (1.000 – 2.000 Å) |

5248 | CATS3D_02_NN | CATS3D Negative-Negative BIN 02 (2.000 – 3.000 Å) |

5249 | CATS3D_03_NN | CATS3D Negative-Negative BIN 03 (3.000 – 4.000 Å) |

5250 | CATS3D_04_NN | CATS3D Negative-Negative BIN 04 (4.000 – 5.000 Å) |

5251 | CATS3D_05_NN | CATS3D Negative-Negative BIN 05 (5.000 – 6.000 Å) |

5252 | CATS3D_06_NN | CATS3D Negative-Negative BIN 06 (6.000 – 7.000 Å) |

5253 | CATS3D_07_NN | CATS3D Negative-Negative BIN 07 (7.000 – 8.000 Å) |

5254 | CATS3D_08_NN | CATS3D Negative-Negative BIN 08 (8.000 – 9.000 Å) |

5255 | CATS3D_09_NN | CATS3D Negative-Negative BIN 09 (9.000 – 10.000 Å) |

5256 | CATS3D_10_NN | CATS3D Negative-Negative BIN 10 (10.000 – 11.000 Å) |

5257 | CATS3D_11_NN | CATS3D Negative-Negative BIN 11 (11.000 – 12.000 Å) |

5258 | CATS3D_12_NN | CATS3D Negative-Negative BIN 12 (12.000 – 13.000 Å) |

5259 | CATS3D_13_NN | CATS3D Negative-Negative BIN 13 (13.000 – 14.000 Å) |

5260 | CATS3D_14_NN | CATS3D Negative-Negative BIN 14 (14.000 – 15.000 Å) |

5261 | CATS3D_15_NN | CATS3D Negative-Negative BIN 15 (15.000 – 16.000 Å) |

5262 | CATS3D_16_NN | CATS3D Negative-Negative BIN 16 (16.000 – 17.000 Å) |

5263 | CATS3D_17_NN | CATS3D Negative-Negative BIN 17 (17.000 – 18.000 Å) |

5264 | CATS3D_18_NN | CATS3D Negative-Negative BIN 18 (18.000 – 19.000 Å) |

5265 | CATS3D_19_NN | CATS3D Negative-Negative BIN 19 (19.000 – 20.000 Å) |

5266 | CATS3D_00_NL | CATS3D Negative-Lipophilic BIN 00 (0.000 – 1.000 Å) |

5267 | CATS3D_01_NL | CATS3D Negative-Lipophilic BIN 01 (1.000 – 2.000 Å) |

5268 | CATS3D_02_NL | CATS3D Negative-Lipophilic BIN 02 (2.000 – 3.000 Å) |

5269 | CATS3D_03_NL | CATS3D Negative-Lipophilic BIN 03 (3.000 – 4.000 Å) |

5270 | CATS3D_04_NL | CATS3D Negative-Lipophilic BIN 04 (4.000 – 5.000 Å) |

5271 | CATS3D_05_NL | CATS3D Negative-Lipophilic BIN 05 (5.000 – 6.000 Å) |

5272 | CATS3D_06_NL | CATS3D Negative-Lipophilic BIN 06 (6.000 – 7.000 Å) |

5273 | CATS3D_07_NL | CATS3D Negative-Lipophilic BIN 07 (7.000 – 8.000 Å) |

5274 | CATS3D_08_NL | CATS3D Negative-Lipophilic BIN 08 (8.000 – 9.000 Å) |

5275 | CATS3D_09_NL | CATS3D Negative-Lipophilic BIN 09 (9.000 – 10.000 Å) |

5276 | CATS3D_10_NL | CATS3D Negative-Lipophilic BIN 10 (10.000 – 11.000 Å) |

5277 | CATS3D_11_NL | CATS3D Negative-Lipophilic BIN 11 (11.000 – 12.000 Å) |

5278 | CATS3D_12_NL | CATS3D Negative-Lipophilic BIN 12 (12.000 – 13.000 Å) |

5279 | CATS3D_13_NL | CATS3D Negative-Lipophilic BIN 13 (13.000 – 14.000 Å) |

5280 | CATS3D_14_NL | CATS3D Negative-Lipophilic BIN 14 (14.000 – 15.000 Å) |

5281 | CATS3D_15_NL | CATS3D Negative-Lipophilic BIN 15 (15.000 – 16.000 Å) |

5282 | CATS3D_16_NL | CATS3D Negative-Lipophilic BIN 16 (16.000 – 17.000 Å) |

5283 | CATS3D_17_NL | CATS3D Negative-Lipophilic BIN 17 (17.000 – 18.000 Å) |

5284 | CATS3D_18_NL | CATS3D Negative-Lipophilic BIN 18 (18.000 – 19.000 Å) |

5285 | CATS3D_19_NL | CATS3D Negative-Lipophilic BIN 19 (19.000 – 20.000 Å) |

5286 | CATS3D_00_LL | CATS3D Lipophilic-Lipophilic BIN 00 (0.000 – 1.000 Å) |

5287 | CATS3D_01_LL | CATS3D Lipophilic-Lipophilic BIN 01 (1.000 – 2.000 Å) |

5288 | CATS3D_02_LL | CATS3D Lipophilic-Lipophilic BIN 02 (2.000 – 3.000 Å) |

5289 | CATS3D_03_LL | CATS3D Lipophilic-Lipophilic BIN 03 (3.000 – 4.000 Å) |

5290 | CATS3D_04_LL | CATS3D Lipophilic-Lipophilic BIN 04 (4.000 – 5.000 Å) |

5291 | CATS3D_05_LL | CATS3D Lipophilic-Lipophilic BIN 05 (5.000 – 6.000 Å) |

5292 | CATS3D_06_LL | CATS3D Lipophilic-Lipophilic BIN 06 (6.000 – 7.000 Å) |

5293 | CATS3D_07_LL | CATS3D Lipophilic-Lipophilic BIN 07 (7.000 – 8.000 Å) |

5294 | CATS3D_08_LL | CATS3D Lipophilic-Lipophilic BIN 08 (8.000 – 9.000 Å) |

5295 | CATS3D_09_LL | CATS3D Lipophilic-Lipophilic BIN 09 (9.000 – 10.000 Å) |

5296 | CATS3D_10_LL | CATS3D Lipophilic-Lipophilic BIN 10 (10.000 – 11.000 Å) |

5297 | CATS3D_11_LL | CATS3D Lipophilic-Lipophilic BIN 11 (11.000 – 12.000 Å) |

5298 | CATS3D_12_LL | CATS3D Lipophilic-Lipophilic BIN 12 (12.000 – 13.000 Å) |

5299 | CATS3D_13_LL | CATS3D Lipophilic-Lipophilic BIN 13 (13.000 – 14.000 Å) |

5300 | CATS3D_14_LL | CATS3D Lipophilic-Lipophilic BIN 14 (14.000 – 15.000 Å) |

5301 | CATS3D_15_LL | CATS3D Lipophilic-Lipophilic BIN 15 (15.000 – 16.000 Å) |

5302 | CATS3D_16_LL | CATS3D Lipophilic-Lipophilic BIN 16 (16.000 – 17.000 Å) |

5303 | CATS3D_17_LL | CATS3D Lipophilic-Lipophilic BIN 17 (17.000 – 18.000 Å) |

5304 | CATS3D_18_LL | CATS3D Lipophilic-Lipophilic BIN 18 (18.000 – 19.000 Å) |

5305 | CATS3D_19_LL | CATS3D Lipophilic-Lipophilic BIN 19 (19.000 – 20.000 Å) |