Skip to main content

Table 3 Performance of kNN for identifying Src inhibitors and non-inhibitors evaluated by 5-fold cross validation study

From: Development and experimental test of support vector machines virtual screening method for searching Src inhibitors from large compound libraries

Cross - validation

Src inhibitors

Src non-inhibitors

Q

C

No of training/ testing inhibitors

TP

FN

SE

No of training/testing non-inhibitors

TN

FP

SP

1

1362/341

302

39

88.56%

50654/12664

12635

29

99.77%

99.48%

0.896

2

1362/341

313

28

91.79%

50654/12664

12620

44

99.65%

99.45%

0.894

3

1362/341

311

30

91.20%

50654/12664

12610

54

99.57%

99.35%

0.878

4

1363/340

316

24

92.94%

50655/12663

12619

44

99.65%

99.48%

0.901

5

1363/340

302

38

88.82%

50655/12663

12632

31

99.76%

99.47%

0.895

Average

   

90.66%

   

99.68%

99.44%

0.893

SD

   

0.0191

   

0.0008

0.0005

0.0085

SE

   

0.0085

   

0.0004

0.0002

0.0038