RDKit Fingerprint Reader

This node reads an FPS file with its fingerprint records into a KNIME table. The format of the .fps file is mentioned here: https://jcheminf.springeropen.com/articles/10.1186/1758-2946-5-S1-P36

Options

Input file

The location of the FPS file containing fingerprint records.

Use IDs from file as row IDs (Requires unique IDs!)

If checked, the IDs read from each fingerprint record in the FPS file are used as row IDs. This will fail if the FPS file does not contain unique fingerprint IDs.

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