Table 3.

Statistical analysis for 77, 80, and 32 blockers in S1 and S2 binding pocket using the models obtained from the SILCS LGFE scores, PPM, and consensus SILCS-PPM ranking.

Docking Scores
	77 compounds				80 compounds				32 compounds
Pocket	MUE	R	PI	PC	MUE	R	PI	PC	MUE	R	PI	PC
S1	1.298	0.416	0.442	0.641	1.550	−0.078	0.066	0.511	1.888	0.235	0.267	0.589
S2	1.567	0.441	0.456	0.643	1.845	−0.014	0.143	0.549	2.055	0.227	0.297	0.607
BML S1	0.888	0.625	0.647	0.732	0.922	0.516	0.510	0.672	1.720	0.313	0.207	0.560
BML S2	1.185	0.646	0.659	0.738	1.345	0.532	0.541	0.686	1.904	0.363	0.392	0.613
Docking Scores + PPM
S1	0.824	0.692	0.721	0.757	0.803	0.519	0.565	0.691	1.341	0.566	0.592	0.692
S2	0.822	0.691	0.707	0.749	0.796	0.529	0.575	0.699	1.315	0.562	0.549	0.679
BML S1	0.789	0.713	0.738	0.766	0.724	0.624	0.629	0.722	1.341	0.558	0.539	0.663
BML S2	0.775	0.722	0.745	0.771	0.711	0.648	0.642	0.725	1.320	0.585	0.56	0.681
PPM
MLR	0.822	0.691	0.707	0.749	0.816	0.516	0.568	0.690	1.382	0.540	0.576	0.679