KNIME Extension for VEGA

The extension allows to use all available QSAR models from the most recent version of VEGA inside the well-known analytics platform KNIME.

The extension makes available a node for the execution of VEGA models, taking as input a molecule set in SMILES format, and a further node to load and import structures from a SDF file. The main node produces the model’s results similarly to the text output from the VEGA stand alone application, so that it is possible to use such results inside the workflow.

The extension is distributed under an open source license, and does not require the installation of additional libraries and of the VEGA stand alone applicazion. The application can be freely downloaded from your private area (registration required).