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
Workflow
03_Clustering
Used extensions & nodes
Created with KNIME Analytics Platform version 4.5.2
- Go to item
KNIME AG, Zurich, Switzerland
Versions 4.5.1, 4.5.2
- Go to item
KNIME AG, Zurich, Switzerland
Version 4.5.1
- Go to item
KNIME AG, Zurich, Switzerland
Version 4.5.2
- Go to item
KNIME AG, Zurich, Switzerland
Version 4.5.0
- Go to item
KNIME AG, Zurich, Switzerland
Version 4.5.0
- Go to item
NIBR
Version 4.5.0
Legal
By using or downloading the workflow, you agree to our terms and conditions.