Table 9.

Residuals of the predictions of the test set by the CoMFA 3D QSAR model.

Compd	Actual pIC50	Residual	Compd	Actual pIC50	Residual
94	4.48	−0.9	114	6.91	0.93
95	7.11	0.67	115	6.21	0.25
96	5.62	0.02	116	3.480	−1.41
97	5.82	0.14	117	7.50	0.04
98	5.75	0.01	118	6.37	0.68
99	6.45	0.75	119	6.46	−0.29
100	6.55	0.77	120	7.80	−0.12
101	6.65	−0.34	121	4.33	−0.51
102	6.44	0.22	122	5.89	0.97
103	6.48	0.06	123	7.06	0.04
104	6.55	−0.01	124	6.01	0.13
105	6.70	0.36	125	5.93	0.17
106	6.61	0.53	126	6.15	−0.38
107	8.32	0.29	127	3.94	−0.25
108	6.75	0.36	128	6.74	0.89
109	7.09	−0.17	129	6.23	0.02
110	6.09	−0.77	130	5.38	0.49
111	6.60	0.03	131	6.97	0.12
112	6.80	0.3	132	7.66	0.27
113	7.16	0.91