NodeIndigo 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. Port Type: Data
    Table containing molecule or reaction structures.

Output Ports

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