Computational Molecular Modeling of Pin1 Inhibition Activity of Quinazoline, Benzophenone, and Pyrimidine Derivatives

Table 4

Statistics parameters used for robustness evaluation of the MLR selected models by using MATLAB.

Model		Kxx	Kxy	ΔK	F
LR 1	0.594	33.1	36.2	3.12	13.9
LR 2	0.729	40.5	39.9	−0.62	24.6
LR 3	0.754	39.5	39.6	0.10	26.5
LR 4	0.803	36.6	37.1	0.55	33.7
Model	a(R^2)	b(Q^2)	SDEP	SDEC	s
LR 1	0.179	−0.399	0.233	0.185	0.211
LR 2	0.121	−0.383	0.191	0.157	0.176
LR 3	0.188	−0.474	0.179	0.133	0.153
LR 4	0.18	−0.499	0.159	0.119	0.138