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Table 5 Continuation of external validation

From: In silico studies of novel pyrazole-furan and pyrazole-pyrrole carboxamide as fungicides against Sclerotinia sclerotiorum

(YpredYobs)2

YmeanTrain

YobsYmeanTr

(YpredYMeanTrain)2

0.53974

1.403369

− 0.65518

0.429262

0.002401

1.403369

− 0.48429

0.234538

0.079339

1.403369

− 1.06095

1.125607

0.495232

1.403369

− 0.45398

0.206097

0.000258

1.403369

1.071139

1.147338

0.17715

1.403369

0.829119

0.687438

0.117023

1.403369

− 0.64749

0.419249

0.07566

1.403369

0.509384

0.259472

0.857383

1.403369

0.712574

0.507762

0.297397

1.403369

− 0.43024

0.185108

0.148514

1.403369

1.232014

1.517859

∑(Ypred − Yobs)2 = 2.790097

  

∑(Ypred – YMeanTrain)2 = 6.719729

R2 = (1-2.790097/6.719729) = 0.58479