Figure 12:

The Pearson correlation coefficient of various scoring functions on CASF-2016. Our developed models, namely TopBP⁴⁹, EIC-Score⁸⁹, and AGL-Score⁶⁶ are colored in orange. The performances of other models that are in teal are taken from Refs.^{48,89,151,165–167}. Our TopBP is the best model with R_p = 0.861 and RMSE = 1.65 kca/mol. Our AGL-Score is the second best model, with R_p = 0.833 and RMSE = 1.733 kcal/mol. The third-ranked scoring function is still our model, EIC-Score, with R_p = 0.825 and RMSE = 1.767 kcal/mol. Note that, scoring functions marked with * use PDBbind v2016 core set (N = 290).