RDKit Nodes for Knime version 4.0.1.v202006261025 by NIBR
Filters a table of molecules by applying filters taken from a set of standard catalogs. The second output table contains a very detailed view of the reasons why a molecule was filtered out. The node gives the option to generate one or more atom lists columns with the indexes of the atoms that matched the rule; this information can be used with the RDKit Molecule Highlighting node to color the associated substructures.
To use this node in KNIME, install RDKit KNIME JUnit Test from the following update site:
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