alvaRunner – KNIME

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:

Example

You can download a simple example workflow of the alvaRunner KNIME Plugin from here.

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

Install (with External Software Site)

You can install the alvaRunner Plugin directly from KNIME:

1. Make sure you have an updated version of KNIME (at least 4.6.5)
2. Make sure you are in KNIME Classic User Interface
3. 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
4. Click File -> Install KNIME Extensions…
5. Search for Alvascience
6. Select Alvascience alvaRunner
7. Click Next and follow KNIME instructions

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

Update (with External Software Site)

You can update the alvaRunner Plugin directly from KNIME:

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

Install (with zip file / Local Software Site)

You can install the alvaRunner Plugin using a zip file:

1. Make sure you have an updated version of KNIME (at least 4.6.5)
2. Make sure you are in KNIME Classic User Interface
3. Download the zip file of Alvascience Local Software Site to your local system
4. Go to File -> Preferences -> Install/Update -> Available Software Sites
5. Remove other External or Local Software Sites related to Alvascience
6. Click Add…
7. Click Archive…
8. Fill in the Name: Alvascience local site
9. Click Add
10. Click Apply and Close
11. Click File -> Install KNIME Extensions…
12. Search for Alvascience
13. Select Alvascience alvaDesc inside Alvascience Extensions
14. Click Next and follow KNIME instructions

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