Knowledge Base

What is the definition of the "clustering strain" property that is reported in the conformer clustering script results?

The script uses the hierarchical clustering feature of Canvas. The 'Clustering strain' is the ratio of the sum of adjacent pairs of distances in the dendrogram to the sum of the nearest-neighbor distances across all pairs. The lower the strain (minimum 1.0), the more accurately the ordering in the dendrogram reflects the actual distances between the objects.

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