Indigo Fingerprint

Other

This node calculates Indigo structural fingerprints for structures.

Supported types:

  • Molecule: String, SDF, Smiles, CML, Mol, InChI
  • Reaction: String, RXN, SMILES

The node is based on the Indigo cheminformatics toolkit.

Input Ports

  1. Type: Data Table containing molecule or reaction structures.

Output Ports

  1. Type: Data The same as input, plus the fingerprints.

Find here

Community Nodes > Indigo 2 > Match and Similarity

Make sure to have this extension installed:

Indigo KNIME integration

Update site for KNIME Analytics Platform 3.7:
Stable Community Contributions

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