遇见数据集

Scoring power for each scoring function, as defined in CASF 2013.

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Correlation coefficients between experimental and calculated binding affinity. In column labeled “R”, correlation coefficients are calculated by scoring crystal structures. In column labeled “Minimized-R”, energy minimization is performed before the calculation of correlation coefficients. The average RMSD of minimized structures with respect to crystallized ligands are shown in column “RMSD” (values are in Å). Results for GlideScore-SP, ChemPLP@GOLD and X-Score are taken from [11].

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2016-10-27
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