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ECFP/FCFP

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

ECFPs are circular topological fingerprints designed for molecular characterization, similarity searching, and structure-activity modeling.

Options

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

Input Ports

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

Output Ports

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Output table that contains ECFP descriptors.

Best Friends (Incoming)

Best Friends (Outgoing)

Workflows

Installation

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

KNIME 4.3

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Developers

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