Table 5.

Observed and predicted activity values from the QSAR models.

Molecules Number	Observed Log10IC50	Predicted Log10IC50 (MLR)	Predicted Log10IC50 (MNLR)	Predicted Log10IC50 (CV)
2	0.47712126	0.588	0.679	0.664
3	1.61278386	1.439	1.415	1.428
4	0.77815125	1.860	1.790	1.922
5	1.96378783	1.511	1.464	1.441
6	0	−0.040	0.405	−0.053
7	0.77815125	1.186	1.157	1.245
8	0.47712126	0.721	0.933	0.801
10	2.69372695	1.397	1.195	1.321
11	2.67577834	2.157	2.240	2.057
12	1.87506126	1.083	1.018	0.970
13	2.90794852	2.000	2.081	1.827
14	1.36172784	1.093	0.954	1.075
15	1.65321251	1.915	1.933	1.959
17	0.77815125	1.163	0.982	1.247
18	2.53147892	2.322	2.392	2.250
19	2.71096312	2.520	2.548	2.458
20	0.95424251	1.189	1.245	1.217
21	1.462398	1.289	1.302	1.272
22	2.24797327	2.623	2.680	2.667
23	3.23121465	2.281	2.338	2.174
24	3.24526584	3.578	3.538	3.710
25	3.52659771	2.891	3.183	2.562
26	1.8920946	2.311	2.171	2.396
29	2.95616843	2.751	3.000	2.717
30	0	0.391	0.176	0.443
31	0	1.744	1.675	1.934
33	2.97589114	3.062	2.907	3.204
34	0.47712126	0.463	0.555	0.454
37	0	−0.178	−0.276	−0.228
38	1	1.056	1.151	1.068
40	1.76342799	1.104	1.136	0.867
41	1.65321251	2.404	2.199	2.852
42	0.84509804	0.959	0.855	0.993
43	0.47712126	1.226	0.961	1.294