The alvaRunner Plugin contains a node that allows the use of alvaRunner in KNIME. The KNIME node can be used to apply Quantitative Structure Activity/Property Relationship (QSAR/QSPR) regression models on a set of molecules.

In order to work, the plugin requires a licensed version of alvaRunner installed on the same computer.

Video

A short video introduction:

Examples

A few example models were prepared to be applied to your molecules by using alvaRunner.

Install (with External Software Site)

You can download the alvaRunner Plugin directly from KNIME:

  1. Make sure you have an updated version of KNIME (at least 3.7.1)
  2. Make sure the Alvascience update site is present and checked in the list of the Available Software Sites (File -> Preferences -> Install/Update -> Available Software Sites), if it is not:
    • Go to File -> Preferences -> Install/Update -> Available Software Sites
    • Click Add…
    • Fill in the Name: Alvascience update site
    • Fill in the Location: https://www.alvascience.com/knime/latest
    • Click Add
    • Click Apply and Close
  3. Click File -> Install KNIME Extensions…
  4. Search for Alvascience
  5. Select Alvascience alvaRunner
  6. Click Next and follow KNIME instructions

The node will be then available in the section Alvascience -> alvaRunner Nodes.

Update

You can update the alvaRunner Plugin directly from KNIME:

  1. Make sure you the Alvascience update site is configured (check the Install section)
  2. Click File -> Update KNIME…
  3. Click Next and follow KNIME instructions

Install (with zip file / Local Software Site)

  1. Make sure you have an updated version of KNIME (at least 3.7.1)
  2. Download the zip file of Alvascience Local Software Site to your local system
  3. Go to File -> Preferences -> Install/Update -> Available Software Sites
  4. Remove other External or Local Software Sites related to Alvascience
  5. Click Add…
  6. Click Archive…
  7. Fill in the Name: Alvascience local site
  8. Click Add
  9. Click Apply and Close
  10. Click File -> Install KNIME Extensions…
  11. Search for Alvascience
  12. Select Alvascience alvaDesc inside Alvascience Extensions
  13. Click Next and follow KNIME instructions
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