Ligand-based drug design of quinazolin-4(3H)-ones as breast cancer inhibitors using QSAR modeling, molecular docking, and pharmacological profiling

Journal of the Egyptian National Cancer Institute

Table 1 Minimum acceptable values of the developed QSAR models

Symbol	Definition	Threshold value	Model 1	Model 2	Model 3	Model 4
R²	Correlation coefficient of the training set	≥ 0.6	0.919473	0.904997	0.9049	0.903554
R²_adj	Adjusted R²	≥ 0.6	0.898281	0.879996	0.879874	0.878174
Q²_CV	Cross validation coefficient	≥ 0.5	0.819201	0.819222	0.787238	0.799009
R²—Q²_cv	Difference between R² and Q²_cv	≤ 0.3	0.10072	0.085755	0.117662	0.104545
P(95%)	Confidence interval at 95% confidence level	< 0.05	0.097933	0.106372	0.106426	0.107177