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Pains Filters

Applies the PAINS_A filters to a set of molecules and then highlights thematching atoms for molecules that match a filter.You can replace the table reader with anything that produces tables that haveMOL, SDF, SMILES, or RDKit molecule cells Node 3Node 8Node 10 RDKit MoleculeHighlighting Table Reader RDKit MoleculeCatalog Filter Applies the PAINS_A filters to a set of molecules and then highlights thematching atoms for molecules that match a filter.You can replace the table reader with anything that produces tables that haveMOL, SDF, SMILES, or RDKit molecule cells Node 3Node 8Node 10 RDKit MoleculeHighlighting Table Reader RDKit MoleculeCatalog Filter

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To use this workflow in KNIME, download it from the below URL and open it in KNIME:

Download Workflow
Created by: glandrum
Created at: 2019-06-28
On NodePit since: 2019-10-03
Last update: 2024-04-25
Created with KNIME version: v4.0.0

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