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Table 2 Validation parameters of the model

From: In silico studies of 2,5-disubstituted furans as active antimalarial drug candidates

ParametersThresholdModel valuesRemarksReferences
R2R2 > 0.60.982Passed(Tropsha, 2010)
R2adjR2adj > 0.50.974Passed(Tropsha, 2010)
FLarge47992Passed(Tropsha, 2010)
Q2cvQ2cv > 0.50.966Passed(Tropsha, 2010)
|R2 − Q2cv||R2 − Q2cv| < 0.30.016Passed(Eriksson et al., 2003)
SEELow0.066Passed(Damme & Bultinck, 2007)
R2predR2pred > 0.50.599Passed(Tropsha, 2010)
r2r2 > 0.60.735Passed(Golbraikh & Tropsha, 2002)
r02 0.735  
r02 0.660  
|r02r02||r02r02| < 0.30.075Passed(Golbraikh & Tropsha, 2002)
k0.85 < k < 1.151.044Passed(Golbraikh & Tropsha, 2002)
(r2r02)/r2(r2r02)/r2 < 0.10.00082Passed(Golbraikh & Tropsha, 2002)
k0.85 < k′ < 1.150.955Passed(Golbraikh & Tropsha, 2002)
(r2r02)/r2(r2r02)/r2 < 0.10.102Passed(Golbraikh & Tropsha, 2002)
  1. Note that r2 is the square correlation coefficients of the plot of observed versus predicted values for the test set with intercept while r02 is the square correlation coefficients of the same plot that passed through the origin, i.e., without intercept, and r02 is its reverse. k is the gradient of the plot of observed versus predicted values for the test set without intercept, and k′ is its reverse