Table 5.

The ablation experimental result on the PDBbind2016 test set

Models	R($\uparrow$)	RMSE($\downarrow$)	MAE($\downarrow$)	SD($\downarrow$)	CI($\uparrow$)
${\text{DeepTGIN}}_{without\_pocket}$	0.720	1.520	1.184	1.506	0.760
${\text{DeepTGIN}}_{without\_ligand}$	0.723	1.512	1.185	1.501	0.763
${\text{DeepTGIN}}_{\mathit{cnn}}$	0.745	1.458	1.132	1.449	0.769
${\text{DeepTGIN}}_{\mathit{lstm}}$	0.725	1.502	1.130	1.495	0.763
DeepTGIN	0.834	1.203	0.949	1.197	0.823

$\uparrow$ indicates that larger values indicate better performance, while $\downarrow$ indicates that smaller values indicate better performance