Pharmacophore generation and atom-based 3D-QSAR of N-iso-propyl pyrrole-based derivatives as HMG-CoA reductase inhibitors

Organic and Medicinal Chemistry Letters

Table 2 PLS statistical parameters of the selected 3D-QSAR model

ID	PLS factors	SD	R ²	F	P	RMSE	Q ²	Pearson-R
AANRR	1	0.4323	0.5171	31	5.181e-006	0.4018	0.3971	0.6346
	2	0.3191	0.7459	41.1	4.687e-009	0.4157	0.3549	0.676
	3	0.2369	0.865	57.7	7.249e-012	0.3565	0.5255	0.7782
	4	0.1369	0.9566	143.2	2.609e-017	0.2965	0.6719	0.8371

SD, standard deviation of the regression; R, squared value of R² for the regression; F, variance ratio. Large values of F indicate a more statistically significant regression, P, significance level of variance ratio. Smaller values indicate a greater degree of confidence; RMSE,root-mean-square error, Q, squared value of Q² for the predicted activities, Pearson-R, Pearson R value for the correlation between the predicted and observed activity for the test set.