RDKit Fingerprint Reader

This Node Is Deprecated — This version of the node has been replaced with a new and improved version. The old version is kept for backwards-compatibility, but for all new workflows we suggest to use the version linked below.
Go to Suggested ReplacementRDKit 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


Input FPS file
The location of the FPS file containing fingerprint records.
Use IDs from file as row IDs (Requires unique IDs!)
Flag to determine, if IDs read from a fingerprint record of the file shall be used as row IDs. This will fail, if the FPS file does not contain unique fingerprint IDs.

Input Ports

This node has no input ports

Output Ports

Table containing fingerprints.


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