TeachOpenCADD_Workflow5_Compound_clustering
TeachOpenCADD Workflow 5: Compound clustering
Clustering can be used to identify groups of similar compounds, in order to pick a set of diverse compounds from these clusters for e.g. non-redundant experimental testing.
This workflow shows how to perform such a clustering based on a hierarchical clustering algorithm.
Nodes
Extensions
- FeatureKNIME Base Chemistry Types & Nodes
- FeatureKNIME Base nodes
- FeatureKNIME Distance Matrix
- FeatureKNIME JavaScript Views
- FeatureRDKit Nodes Feature
- Show all 6 modules
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