inside the platform KNIME

An extension that allows to use all available VEGA QSAR models inside the well-known analytics platform KNIME is available. The extension contains 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 has been developed by Kode s.r.l. and it's freely available for download, upon registration, at Kode website