3D-QSAR-Based Pharmacophore Modeling, Virtual Screening, and Molecular Docking Studies for Identification of Tubulin Inhibitors with Potential Anticancer Activity

Table 3

PLS statistical parameters of the model AAARRR.1061.

PLS	SD				Stability	RMSE		Pearson
1	0.4189	0.6288	81.3	6.698-12	0.9411	0.3486	0.5412	0.8756
2	0.3627	0.7276	62.8	5.339-14	0.8681	0.3198	0.6137	0.874
3	0.2995	0.8182	69	4.698-17	0.6923	0.3733	0.4737	0.7448
4	0.2606	0.8653	72.3	5.278-19	0.6111	0.334	0.7186	0.7787
5	0.2238	0.9029	81.8	3.836-21	0.5238	0.4009	0.393	0.6463
6	0.1941	0.9286	93.2	5.226-23	0.4545	0.4409	0.2658	0.5743

SD: standard deviation of regression; : regression coefficient; : ratio of the model variance to the observed activity variance (variance ratio); : significance level of variance ratio; : cross-validated correlation coefficient for the test set; RMSE: the RMS error in the test set predictions. Best model.