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Table 2 Generally recommended values for the validation parameters for a built model

From: Predicting the bioactivity of 2-alkoxycarbonylallyl esters as potential antiproliferative agents against pancreatic cancer (MiaPaCa-2) cell lines: GFA-based QSAR and ELM-based models with molecular docking

Parameter Definition Recommended value
R2 Coefficient of determination ≥0.6
P(95%) Confidence interval at 95% confidence level <0.05
\( {Q}_{cv}^2 \) Cross validation coefficient ≥0.5
R2 -\( {Q}_{cv}^2 \) Difference between R2 and \( {Q}_{cv}^2 \) <0.3
N(ext & test set) Minimum number of external test set ≥5
\( c{R}_p^2 \) Coefficient of determination for Y-randomization ≥0.5