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Fig. 2 | Journal of Cheminformatics

Fig. 2

From: Statistical-based database fingerprint: chemical space dependent representation of compound databases

Fig. 2

Dendograms for hierarchical clustering of targets computed with different approaches based in two molecular fingerprints, MACCS keys and ECFP4. a The ground truth; b, e all-compound comparisons (ACC); c, f database fingerprint (DFP); d, g statistical-based database fingerprint (SB-DFP). The Adjusted Rand Index (ARI) of each clustering is indicated in each panel. See main text for details

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Journal of Cheminformatics

ISSN: 1758-2946

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