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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