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Indigo Fingerprint

Community Nodes Indigo 2 Match and Similarity
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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.

Node details

Input ports
  1. Type: Table
    Input structures
    Table containing molecule or reaction structures.
Output ports
  1. Type: Table
    Structures with fingerprints
    The same as input, plus the fingerprints.

Extension

The Indigo Fingerprint node is part of this extension:

Related workflows & nodes