Receptor Guided 3D-QSAR: A Useful Approach for Designing of IGF-1R Inhibitors

Table 5

Experimental and predicted activities with their residuals by CoMFA and CoMSIA analyses of the test set.

n.	CoMFA		CoMSIA
	Experimental	Predicted	Predicted
	pIC50	pIC50	Residual	pIC50	Residual
5	5.456	5.404	0.052	5.536	−0.080
7	5.644	5.779	−0.135	5.811	−0.167
8	5.955	6.015	−0.060	5.787	0.168
17	6.009	5.966	0.043	5.819	0.190
23	6.483	6.274	0.209	6.304	0.179
31	5.775	5.703	0.072	5.728	0.047
34	6.979	6.269	0.710	6.205	0.774
36	5.469	5.696	−0.227	5.924	−0.455
44	7.041	7.080	−0.039	7.227	−0.186
45	6.936	6.950	−0.014	7.130	−0.194
49	6.625	6.902	−0.277	6.834	−0.209