RDKit Dictionary Substructure Filter (deprecated)

Applies a substructure filter to an input RDKit Mol column. The patterns are given as SMARTS in the second input table. You can choose either a minimum number of patterns to match or to require that all match. Please use the RDKit Molecule Substructure Filter instead.

Options

RDKit Mol column

Select the column from the first input table that contains the RDKit molecules

SMARTS column

Select the column from the second input table that contains the SMARTS patterns

Matches

Select the minimum number of patterns that must match for each molecule so that it is included in the first output table

New column name for matching substructures

Enter here the name of the new column that will contain a list of all matching substructure indices

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