Table 3. Correlation statistics of the obtained docking score and the output parameters of XP-docking.

	Docking score vs. glide ligand efficiency	Docking score vs. glide lipo	Docking score vs. glide hbond	Docking score vs. glide evdw	Docking score vs. glide ecoul	Docking score vs. glide energy	Docking score vs. MMGBSA_ dG_Bind
Pearson r
r	0.3446	−0.6011	−0.1216	−0.3886	0.741	0.08881	−0.3251
95% confidence interval	−0.2275 to 0.7399	−0.858 to −0.1035	−0.6127 to 0.4371	−0.7621 to 0.1788	0.3468 to 0.9127	−0.4636 to 0.5915	−0.7298 to 0.2483
R squared	0.1188	0.3613	0.0148	0.151	0.5491	0.007888	0.1057
P value
P (two-tailed)	0.2275	0.0230	0.6787	0.1697	0.0024	0.7627	0.2567
P value summary	ns	*	ns	ns	**	ns	ns
Significant? (alpha = 0.05)	No	Yes	No	No	Yes	No	No
Number of XY Pairs	14	14	14	14	14	14	14