QSAR Investigation on Quinolizidinyl Derivatives in Alzheimer’s Disease

Table 5

Experimental and predicted values of log (1/IC₅₀) using PCR and PLS methods.

Observed log (1/IC50)	Predicted PCR	Predicted PLS
1.531	1.534	1.426
1.653	1.656	1.656
0.854	1.340	1.327
1.591	1.679	1.675
1.771	1.713	1.893
1.568	1.647	1.661
1.699	1.657	1.660
1.74	1.482	1.401
0.919	1.429	1.351
1.634	1.572	1.489
0.845	1.684	1.677
1.623	2.260	2.324
1.763	1.630	1.625
1.663	1.423	1.341
0.919	1.282	1.203
1.613	1.560	1.602
1.653	1.574	1.614
1.681	1.574	1.614
0.949	1.047	1.080
0.826	1.042	1.073
1.544	1.068	1.100
1.653	0.919	0.956
1.653	1.767	1.701
1.69	1.693	1.726
1.477	1.689	1.722
1.505	1.358	1.370
1.672	1.212	1.275
1.602	1.467	1.503
1.672	1.160	1.153
0.833	0.962	0.919
0.756	0.733	0.630
1.532	1.161	1.076
1.623	1.579	1.584
1.462	1.193	1.171
1.69	1.491	1.387
0.863	0.521	0.581
−0.076	0.275	0.276
−0.658	0.022	−0.026
1.756	1.010	1.062
0.82	0.417	0.497
−0.456	0.431	0.495
0.079	0.273	0.337