Complete list of molecular descriptors calculated by alvaDesc:

- 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) |