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ECFP/FCFP

ChemAxon / Infocom JChem Screen Streamable
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ECFPs are circular topological fingerprints designed for molecular characterization, similarity searching, and structure-activity modeling.

Node details

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

Extension

The ECFP/FCFP node is part of this extension:

Related workflows & nodes