Table 5.

The validation results of allosteric pharmacophore models.

Model	N_Hits	Specificity	Energy	Pareto	Haa	Htb	HRA c	IEI d	CAI e
A-07	6	3.31	34.02	0	214	358	89.17%	2.39	2.132
A-01	6	3.44	15.65	0	220	486	91.67%	1.81	1.660
A-03	6	3.44	37.63	0	218	375	90.83%	2.33	2.112
A-04	6	3.44	37.63	0	218	375	90.83%	2.325	2.112
A-13	6	3.44	38.09	0	216	449	90.00%	1.924	1.732
A-17	6	2.68	14.82	0	234	842	97.50%	1.112	1.084

^aHa is the number of active compounds screened by a pharmacophore model.

^bHt is the total number of compounds screened by a pharmacophore model.

^c HRA represents the ability to identify active compounds from the test set.

^d IEI represents the ability to identify active compounds from nonactive compounds.

^e CAI is the comprehensive appraisal index.