Table 1. The generated pharmacophores and their validation.

Pharmacophore characteristics	Structure-based hypothesis	Ligand complex-based hypothesis
Total Features	5	7
Feature Set*	AADDD	AADDDRR
ROC	0.53	0.83
AUAC**	0.58	0.85

Notes:

^*A—hydrogen bond acceptor feature, D—hydrogen bond donor feature, H—hydrophobic feature, N—negative ionizable feature, S—shape feature.

^**AUAC—area under area under an accumulation curve.