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Table 5 Validated parameters of the QSAR model

From: Theoretical activity prediction, structure-based design, molecular docking and pharmacokinetic studies of some maleimides against Leishmania donovani for the treatment of leishmaniasis

Validation parameters Model Threshold Remarks
Training set    
Friedman LOF 0.151244
R-squared (R2) 0.801298  ≥ 0.6 Passed
Adjusted R-squared (\(R_{{{\text{adj}}}}^{2}\)) 0.748311  ≥ 0.5 Passed
Cross-validated R-squared (\(Q_{{{\text{cv}}}}^{2}\)) 0.710284  ≥ 0.5 Passed
R2 − \(Q_{{{\text{cv}}}}^{2}\) 0.091014  ≤ 0.3 Passed
Significant regression Yes
Significance-of-regression F-value 15.122516
Critical SOR F-value (95%) 3.103976
Replicate points 1
Computed experimental error 0.21286
Lack-of-fit points 14
Min expt. error for nonsignificant LOF (95%) 0.000000
Test set  
R-squared (\(R_{{{\text{test}}}}^{2}\)) i.e.\(r^{2}\) 0.892  ≥ 0.6 Passed
Number of test set compounds (Ntest set) 8  ≥ 5 Passed
\(\left| {r_{o}^{2} - r_{o}^{{{^{\prime}}2}} } \right|\) 0.00599 ˂ 0.3 Passed
\(\left| {r^{2} - \frac{{r_{o}^{{{^{\prime}}2}} }}{{r^{2} }}} \right|\) 0.00093 ˂ 0.1 Passed
kʹ 1.03956 0.85 ≤ kʹ ≤ 1.15 Passed