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Fingerprint Similarity Calculator

LigandScout Extensions for the KNIME Workbench version 1.7.9 by InteLigand GmbH

The Fingerprint Similarity Calculator node generates similarity fingerprints (Tanimoto) for input molecules in respect to a set of query molecules.

Input Ports

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Table containing the query molecules
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Table containing the molecules to be compared

Output Ports

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Table containing the database with Tanimoto similarity score

Best Friends (Incoming)

Best Friends (Outgoing)

Installation

To use this node in KNIME, install LigandScout Extensions for the KNIME Workbench from the following update site:

KNIME 4.3

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Developers

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