Table 4.

Test set data for the 3D CoMFA and CoMSIA.

Compounds ID	Structure	scPTZb	CLogP	Predicted
				CoMSIA		CoMFA
				CLogP	Residual	CLogP	Residual
JF 102 ADD a 275006		1	2.42	1.82	0.6	2.09	0.33
E 123 ADD 206043		2	2.78	2.55	0.23	2.53	0.25
E 121 ADD 206041		1	3.35	3.02	0.33	3.15	0.20
JF 37 ADD 261108		1	0.97	1.23	−0.26	0.949	0.021
JF 93 ADD 273008		1	1.97	1.84	0.13	2.06	−0.09
JF 43 ADD 261110		1	2.01	1.97	0.04	1.97	0.04

^aADD, Antiepileptic Drug Development;

^bPhase 1 in mice activity – class 1 = activity at 100 mg/kg or <; class 2 = activity between 100 and 300 mg/kg