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Fig. 2 | Journal of Cheminformatics

Fig. 2

From: A reliable computational workflow for the selection of optimal screening libraries

Fig. 2

Assessment of “diversity descriptors”. Each graph presents the % of target (Drug Bank, CHEMBL) or indications (CMC) coverage as a function of the subset size for five of the 25 fingerprints evaluated in this work (see Additional file 1: Tables S1–S3 for details for all fingerprints). The five plots in each graph correspond to fingerprints covering the entire ranking range. a Selections made from Drug Bank. b Selections made from CMC. c Selections made from CHEMBL

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