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Molecular Clustering

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This flow loads in some public data, generates fingerprints, and then does hierarchical clustering. Requirements: - RDKit Community nodes

Used extensions & nodes

Created with KNIME Analytics Platform version 3.3.0
  • KNIME Core Trusted extension

    KNIME GmbH, Konstanz, Germany

    Version 3.3.1

  • KNIME Distance Matrix Trusted extension

    KNIME GmbH, Konstanz, Germany

    Version 3.3.0

  • RDKit KNIME integration Trusted extension

    NIBR

    Version 3.2.2

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