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. Author manuscript; available in PMC: 2020 Nov 25.
Published in final edited form as: J Chem Inf Model. 2019 Oct 31;59(11):4540–4549. doi: 10.1021/acs.jcim.9b00645

Figure 1.

Figure 1.

Performances of scoring functions on CASF-2016 benchmark. (A) Scoring power measured by Pearson correlation coefficient, (B) ranking power in terms of spearman correlation coefficient, (C) docking power measured by success rate for best-scored poses with crystal structures, and screening power measured by (D) enhancement factor and (E) success rate at top 1% level. All scoring functions are ranked in a descending order. ΔvinaXGB’s performances are colored as red and other scoring functions’ performances are colored as green.