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Table 1 List of best 10 positive and negative fingerprints that occurs more frequently in inhibitors and non-inhibitors of EGFR10 dataset respectively.

From: QSAR based model for discriminating EGFR inhibitors and non-inhibitors using Random forest

Best 10 positive fingerprints

Best 10 negative fingerprints

Fingerprint Number

Freq. (+)

Freq. (−)

Diffe-rence

Fingerprint Number

Freq. (+)

Freq. (−)

Diffe-rence

380

71.85

43.64

28.21

698

21.26

45.15

−23.89

579

75.79

52.82

22.97

673

8.27

31.80

−23.53

189

38.78

17.35

21.43

690

57.48

76.51

−19.03

388

67.52

46.41

21.11

700

19.29

38.00

−18.71

816

24.21

6.24

17.97

714

3.54

20.42

−16.88

815

32.68

16.68

15.99

145

30.31

45.28

−14.96

374

39.96

27.06

12.90

701

14.37

28.50

−14.13

613

32.87

20.95

11.92

669

2.17

15.92

−13.75

661

31.50

19.82

11.68

195

6.50

18.02

−11.52

348

40.16

29.50

10.66

382

2.56

11.61

−9.05