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Table 2 Standard minimum proposed value used to assess a quantifiable QSAR model

From: Chemo-informatics activity prediction, ligand based drug design, Molecular docking and pharmacokinetics studies of some series of 4, 6-diaryl-2-pyrimidinamine derivatives as anti-cancer agents

Symbol Name Value
R2 Correlation coefficient  ≥ 0.6
P(95%) Confidence interval at 95% confidence level  < 0.05
Q2 Cross validation coefficient  ≥ 0.5
R2Q2 Difference between R2 and Q2  ≤ 0.3
Next test set Minimal number of external validation set  ≥ 5
R2ext Correlation coefficient for external validation set  ≥ 0.6