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Table 6 Suggested values used in the assessment of QSAR model

From: QSAR, molecular docking studies, ligand-based design and pharmacokinetic analysis on Maternal Embryonic Leucine Zipper Kinase (MELK) inhibitors as potential anti-triple-negative breast cancer (MDA-MB-231 cell line) drug compounds

Characters Names Values
R2 Coefficient of determination  ≥ 0.6
P(95%) Confidence interval at 95% confidence level  < 0.05
Q2 Squared cross-validation coefficient  ≥ 0.5
R2-Q2 Difference between R2 and Q2  < 0.3
Ntest set Least number of the test set  ≥ 5
R2ext Coefficient of determination of external validation  ≥ 0.5