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Table 5 Continuation of external validation

From: QSAR, molecular docking, and design of novel 4-(N,N-diarylmethyl amines) Furan-2(5H)-one derivatives as insecticides against Aphis craccivora

(YpredYobs)2

YmeanTrain

YobsYmeanTr

(YpredYMeanTrain)2

0.367084074

0.900149221

0.65867930

0.433858425

0.031432028

0.900149221

0.65963775

0.435121957

0.338375507

0.900149221

0.39651597

0.157224914

0.01237827

0.900149221

0.22825005

0.052098084

0.02061421

0.900149221

0.797167321

0.635475737

∑(YpredYobs)2 = 0.769884088

  

∑(Ypred − YMeanTrain)2 = 1.713779118

 

R2 = (1 − 0.7698841/1.713779) = 0.550768