Chemical Fingerprint

Manipulator

The fingerprints encode the topological connection between atoms of the chemical graph. Though such encoding loses information, still it preserves enough to allow fast comparisons of chemical structures without their direct structural comparison but instead involving their topological fingerprints.

Input Ports

  1. Type: Data
    Input table that contains structure in Structure(Mrv, Sdf, Smiles, etc.) format.

Output Ports

  1. Type: Data
    Output table that contains Chemical Fingerprint descriptors.

Extension

This node is part of the extension

ChemAxon/Infocom JChem Extensions Feature

v4.0.0

Short Link

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