This flow loads in some public data, generates fingerprints, and then does hierarchical clustering.
Requirements:
- RDKit Community nodes
Workflow
Molecular Clustering
Used extensions & nodes
Created with KNIME Analytics Platform version 3.3.0
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KNIME GmbH, Konstanz, Germany
Version 3.3.1
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KNIME GmbH, Konstanz, Germany
Version 3.3.0
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NIBR
Version 3.2.2
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