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03_Clustering

Chemistry Hierarchical Clustering Bit Vector Distances Molecule Descriptors Interactive Selection
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This exercise shows how to perform hierarchical clustering using molecule fingerprints and create an interactive view to pick interesting clusters. Chemical structures were extracted from this publication: https://doi.org/10.1021/acs.jmedchem.9b01658​

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Created with KNIME Analytics Platform version 4.5.2
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