Models | SETS | PCC | RMSE | Spearman (Sp) | Refs | |
---|---|---|---|---|---|---|
All | Cluster average | |||||
SMPLIP-Score (IFP + Frag Features) | Crystal-reduced | 0.775 | 1.643 | 0.784 | 0.700 | – |
Crystal-minimized | 0.775 | 1.647 | 0.780 | 0.682 | ||
Autodock Vina | Crystal-pose | 0.600 | – | 0.60 | 0.53 | Su et al. [64] |
ΔSAS | Crystal-pose | 0.62 | – | 0.63 | 0.59 | |
ΔVinaRF20 | Crystal-pose | 0.82 | 1.27 | 0.82 | 0.75 | Wang et al. [33] |