Table 3.

Scoring and ranking performances of Vina, ${\mathrm{\Delta }}_{\text{Vina}}{\text{RF}}_{20}$, ${\mathrm{\Delta }}_{\text{Vina}}\text{XGB}$, Lin_F9, ${\mathrm{\Delta }}_{\text{Lin\_F}9}\text{XGB}$ on BACE1 dataset.

Scoring functions	Pearson R	Spearman $\rho$	Kendall $\tau$	RMSE
Vina	0.334	0.332	0.222	1.842
${\mathrm{\Delta }}_{\text{Vina}}{\text{RF}}_{20}$	0.293	0.299	0.201	2.441
${\mathrm{\Delta }}_{\text{Vina}}\text{XGB}$	0.345	0.307	0.211	1.790
Lin_F9	0.481	0.439	0.311	1.950
${\text{Δ}}_{\mathbf{L}\mathbf{i}\mathbf{n}\mathbf{\_}\mathbf{F}9}\mathbf{X}\mathbf{G}\mathbf{B}$	0.517	0.481	0.349	1.518