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. 2021 May 7;7(19):eabc5329. doi: 10.1126/sciadv.abc5329

Fig. 6. Comparison of predicted protein-ligand binding affinities and experimental results for the three test sets.

Fig. 6

(A) PDBbind -2007. (B) PDBbind-2013. (C) PDBbind-2016. The PCCs are 0.836, 0.793, and 0.840, respectively. The root mean square errors are 1.847, 1.956, and 1.724 kcal/mol, respectively.