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.


A short video introduction:


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


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:
    • Click Add
    • Click Apply and Close
  3. Click File -> Install KNIME Extensions…
  4. Search for Alvascience
  5. Select Alvascience alvaRunner Plugin
  6. Click Next and follow KNIME instructions

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