Performance comparison of different scoring functions on the PDBbind v2016 core set. While the performances of KDEEP, RF-Score, X-Score, and cyScore are adopted from Jiménez et al,85 Pearson correlation coefficient of Pafnucy is reported in Stepniewska-Dziubinska et al.86 The proposed DG-GL-strategy–based scoring function, EIC-Score, achieves Rp = 0.825 and RMSE = 1.767 kcal/mol