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
Used extensions & nodes
Created with KNIME Analytics Platform version 4.4.1
By using or downloading the workflow, you agree to our terms and conditions.
Discussions are currently not available, please try again later.