TSCC: Two-Stage Combinatorial Clustering for virtual screening using protein-ligand interactions and physicochemical features

Table 2 T-test of distance between intra-cluster and inter-cluster compound binding modes generated by converting the docked pose into protein-ligand interaction profile (α=0.01)

Target protein	H₀	Average distance of intra-cluster compounds (Å)	Average distance of inter-cluster compounds (Å)	Std^a of distance of intra-cluster compounds	Std^a of distance of inter-cluster compounds	p-value
DHFR	Reject	0.21	0.50	0.09	0.13	1.71E-58
ESA	Reject	0.25	0.42	0.13	0.12	7.04E-20
EST	Reject	0.31	0.48	0.09	0.12	7.94E-39
NA	Reject	0.17	0.73	0.07	0.20	0.00E+00
TK	Reject	0.19	0.47	0.08	0.15	3.89E-64

ISSN: 1471-2164