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

From: 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

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
Next test set Minimal number of test set ≥ 5 5.000
R2ext Correlation coefficient for the test set ≥ 0.6 0.655