Chemical space visualization and clustering with HDBSCAN and RDKit #RDKit

I caught a flu last Monday. So I stay home and rest in this week…… :-( I’m having a fever and hope will get better soon. BTW, recently I found new technique for dimension reduction called Uniform Manifold Approximation and Projection (UMAP). It was also topics in my twitter’s TL. URL links of original paperContinue reading “Chemical space visualization and clustering with HDBSCAN and RDKit #RDKit”

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