Table 2. The distribution (%) of peptides not included in the training sample by absolute prediction error of pI. The scale with neighboring residuals taken into account was used.

Absolute error

Data set 1

Data set 2

Data set 3

Data set 4

Data set 5

Data set 6

Data set 7

Data set 8

Data set 9

Data set 10

Data set 11

Data set 12

Data set 13

Data set 14

Data set 15

Data set 16

Data set 17

Data set 18

Data set 19

Data set 20

Data set 21

Data set 22

Data set 23

Data set 24

Data set 25

Median

0.05

33.2

9.2

33.0

0.7

11.7

12.9

10.8

23.3

30.0

28.5

26.8

27.2

8.3

27.3

30.2

0.1

6.0

44.8

19.1

23.2

18.9

22.9

23.6

13.6

22.8

25.7

0.10

25.8

14.0

23.2

1.3

14.5

17.2

14.7

19.6

22.6

23.7

21.9

24.1

8.1

21.9

28.5

0.2

8.4

29.2

16.9

19.0

18.9

20.2

22.1

14.1

23.0

21.4

0.15

12.2

11.3

13.0

2.6

18.4

18.5

19.1

14.7

13.1

16.1

14.2

16.1

10.0

17.6

13.5

0.2

12.3

11.7

14.9

13.8

14.1

15.5

12.9

14.3

13.2

14.6

0.20

6.7

7.9

6.0

6.2

15.2

11.3

16.7

10.0

6.8

8.4

7.8

10.8

12.9

8.7

7.4

0.2

13.3

5.1

9.8

9.4

8.9

10.6

9.2

13.9

10.0

9.4

0.25

2.7

7.4

2.1

12.1

8.8

6.0

13.1

5.7

4.0

5.1

4.2

6.1

12.8

4.4

4.3

0.3

18.1

1.6

8.0

6.8

7.5

5.4

5.8

10.8

4.1

5.7

0.30

1.3

4.3

1.5

18.7

4.1

2.6

4.8

3.0

2.9

3.2

3.2

3.6

10.7

2.2

2.5

0.2

11.3

0.7

5.5

4.6

5.4

4.0

2.8

5.7

4.5

3.3

0.35

0.9

2.6

1.2

17.8

2.0

1.5

1.9

3.8

1.4

2.0

1.5

2.4

6.0

1.7

1.5

0.3

6.3

0.3

3.7

2.7

3.9

2.4

3.3

2.4

1.9

2.0

0.40

0.7

1.7

1.0

12.1

1.4

1.0

1.0

1.7

1.0

1.1

0.9

1.4

2.4

0.9

0.9

0.3

2.5

0.3

3.0

2.1

2.0

1.5

2.4

1.2

2.3

1.2

0.45

0.8

2.0

0.9

5.2

1.3

1.5

1.0

1.1

0.8

0.8

0.6

0.8

1.4

0.6

0.4

0.2

1.2

0.4

2.4

1.7

1.4

1.3

1.8

0.5

1.6

0.9

0.50

0.6

1.8

1.2

2.1

1.1

1.6

1.2

1.0

0.8

0.6

0.8

0.5

0.9

0.7

0.3

0.2

0.6

0.4

2.0

1.4

1.4

0.9

1.2

0.3

1.4

0.8

0.55

0.9

1.6

1.9

1.1

1.0

1.6

1.4

0.7

0.8

0.5

0.7

0.4

1.3

0.6

0.3

0.1

0.6

0.4

1.1

0.9

1.2

0.7

0.9

0.4

1.0

0.8

0.60

1.3

1.8

2.2

0.9

1.0

1.0

2.1

0.7

0.7

0.5

0.6

0.3

1.4

0.6

0.2

0.1

0.9

0.5

1.1

0.6

0.5

0.4

0.3

0.6

0.7

0.8

0.65

1.6

1.6

1.8

0.9

1.9

1.2

2.9

0.4

0.7

0.4

0.7

0.3

1.0

0.8

0.2

0.1

0.6

0.5

0.3

0.7

0.5

0.5

0.6

0.7

0.6

0.9

0.70

1.3

3.2

1.5

0.8

2.8

1.5

3.0

0.5

0.5

0.3

0.5

0.3

1.6

0.6

0.2

0.1

0.9

0.2

0.7

0.5

0.6

0.5

0.6

1.1

0.4

0.9

0.75

1.5

3.3

1.5

0.9

3.6

2.5

2.0

0.6

0.3

0.5

0.5

0.2

2.1

0.5

0.2

0.1

0.7

0.3

0.6

0.5

0.7

0.6

0.5

1.3

0.5

1.0

0.80

1.1

1.5

1.4

1.0

3.6

4.5

0.7

0.7

0.4

0.4

0.4

0.2

2.3

0.4

0.2

0.0

1.5

0.2

0.6

0.3

0.6

0.5

0.4

1.6

0.2

0.9

0.85

0.8

1.8

0.5

1.4

1.8

3.9

0.2

0.8

0.4

0.4

0.2

0.3

1.7

0.6

0.2

0.1

2.7

0.2

0.5

0.3

0.3

0.3

0.3

1.4

0.4

0.8

0.90

0.7

2.2

0.3

1.8

0.8

2.3

0.1

0.8

0.3

0.4

0.3

0.2

1.4

0.5

0.2

0.1

1.8

0.1

0.4

0.5

0.3

0.5

0.4

1.1

0.4

0.6

0.95

0.3

3.9

0.4

1.9

0.2

1.1

0.1

0.5

0.4

0.4

0.2

0.1

0.5

0.4

0.3

0.1

1.4

0.0

0.1

0.4

0.3

0.2

0.4

0.7

0.2

0.5

1.00

0.5

4.2

0.4

1.3

0.1

0.6

0.0

0.6

0.1

0.3

0.1

0.2

0.4

0.4

0.1

0.1

1.0

0.0

0.2

0.3

0.3

0.2

0.3

0.5

0.2

0.4

>1

5.2

12.8

5.0

9.3

4.8

5.9

3.1

9.8

12.1

6.5

14.0

4.7

13.0

8.7

8.5

97.1

8.0

3.4

9.0

10.5

12.5

11.1

10.2

14.1

10.6

7.4

<=0.25

80.5

49.9

77.4

22.9

68.6

65.8

74.5

73.3

76.4

81.8

75.0

84.3

52.0

79.9

83.9

0.9

58.0

92.3

68.7

72.0

68.3

74.5

73.6

66.6

73.1

76.8

>0.25

19.5

50.1

22.6

77.1

31.4

34.2

25.5

26.7

23.6

18.2

25.1

15.8

48.0

20.1

16.1

99.0

42.0

7.7

31.3

28.0

31.7

25.5

26.4

33.4

26.9

23.2