Table 4.

Model A CoMFA and CoMSIA analyses experimental and predicted pEC₅₀ values of the test set compounds.

		CoMFA model		CoMSIA model
Compound	Exp. pEC50	Pred. pEC50	Residual	Pred. pEC50	Residual
20	4.82	4.99	−0.17	4.75	0.07
24	5.05	4.91	0.14	5.08	−0.03
103	4.35	3.90	0.45	4.04	0.31
112	4.60	4.77	−0.17	4.39	0.21
121	6.15	5.87	0.28	6.48	−0.32
135	5.15	4.95	0.20	4.98	0.17
137	5.60	5.93	−0.33	5.18	0.42
142	6.52	5.97	0.55	5.95	0.57
144	5.82	6.32	−0.50	6.29	−0.47
147	6.22	6.12	0.10	6.19	0.03
148	7.52	7.68	−0.16	7.76	−0.24