In-silico activity prediction, structure-based drug design, molecular docking and pharmacokinetic studies of selected quinazoline derivatives for their antiproliferative activity against triple negative breast cancer (MDA-MB231) cell line

Bulletin of the National Research Centre

Table 2 Least approved values for predicting an acceptable QSAR model and values for the selected model

Symbol	Name	Approved Value	Selected model
R²	Correlation coefficient	≥ 0.6	0.875
Q²	Cross validation coefficient	≥ 0.5	0.837
R² − Q²	Difference between R² and Q²	≤ 0.3	0.038
N_{ext test set}	Minimal number of test set	≥ 5	5.000
R²_ext	Correlation coefficient for the test set	≥ 0.6	0.655