Assess the coverage of a database from the distribution of the distance to the nearest neighbor of each molecule in the database. List the three most similar compounds for each compound in the database.
[Requires: Canvas]
Workflow
Database Analysis
Used extensions & nodes
Created with KNIME Analytics Platform version 4.1.1
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KNIME AG, Zurich, Switzerland
Version 3.7.1
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KNIME AG, Zurich, Switzerland
Version 3.7.0
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KNIME AG, Zurich, Switzerland
Version 3.7.0
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KNIME AG, Zurich, Switzerland
Version 3.7.1
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Schrödinger
Versions 19.4.7, 20.2.12, 20.2.58
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