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Table 4 External validation

From: QSAR and molecular docking studies of novel 2,5-distributed-1,3,4-thiadiazole derivatives containing 5-phenyl-2-furan as fungicides against Phythophthora infestans

Name

pEC50

AMR

SCH-7

Wlambda3.mass

Wnu1.polar

Ypred

9

1.840106

116.2273

0.693123

1.709892

0.939062

1.949358

16

1.655138

105.4178

0.71753

1.980691

0.907522

1.65767

17

2.051153

104.9836

0.726359

23.74621

0.928937

2.166915

19

0.612784

105.29

0.653839

0

0

1.00147

25

0.924279

100.7016

0.64501

0

0

0.786564

24

1.774517

104.9836

0.71753

0.004722

0.904366

1.597157

30

1.824126

112.2107

0.68231

0

0

1.399054

29

1.745855

112.6449

0.673481

0

0

1.372555

31

1.257679

114.5722

0.666731

0

0

1.412139

32

1.74351

100.8294

0.680102

0.023018

0.917819

1.264777