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Cluster by Fingerprint

Cheminformatics Canvas
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Cluster structures by fingerprints and inspect the clustering statistics to choose a good number of clusters. Create automatically the optimum number of clusters based on the Kelley penalty. Select diverse representatives per cluster. [Requires: Canvas]

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Created with KNIME Analytics Platform version 4.1.3 Note: Not all extensions may be displayed.
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    Schrödinger Extensions for KNIME Trusted extension

    Schrödinger

    Version 21.1.135

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