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Pharmacophore Fingerprint

StreamableChemAxon/Infocom JChem Extensions version 4.3.0.v202000 by Infocom Corporation

The fingerprints (which are chemical descriptors) are constructed from sequences of histograms, each of these histograms have the same number of bars. (Each of these bars represent a descriptor cell.) The number of histograms is determined by the number of pharmacophore types (also often referred as features, properties). If the number of distinct pharmacophore features (for instance H-donor, H-acceptor, charge etc.) is n then the number of histograms is n*(n+1)/2.


The path to the configuration XML file.
Structure column
The structure column.

Input Ports

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

Output Ports

Output table that contains Pharmacophore Fingerprint descriptors.

Best Friends (Incoming)

Best Friends (Outgoing)


To use this node in KNIME, install ChemAxon/Infocom JChem Extensions Feature from the following update site:


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