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Table 5 Performance Comparison for the Selected Categorical Attributes in Biological Activity Data of Glycogen Synthase Kinase-3β Inhibitors Using Two-degree Polynomial Kernel and Gaussian Kernels.

From: Leveraging domain information to restructure biological prediction

 

Entropy list order

Training CV Accuracy(%)

Test Accuracy(%)

 

Poly

Gausssian

Poly

Gausssian (γ)

Poly

Gausssian (γ)

  

0.01

1

10

 

0.01

1

10

 

0.01

1

10

Baseline

–

–

–

–

76.23

73.10

62.74

59.42

74.26

70.69

60.58

57.44

nCIR

3

2

1

1

78.84

75.41

64.48

60.15

74.55

71.23

61.26

58.02

F06[N-O]

2

1

2

2

77.62

73.23

63.34

60.23

73.28

70.49

60.87

56.95

H-049

4

5

4

4

79.75

74.69

65.18

61.03

75.14

71.87

62.76

57.26

nN

1

6

6

7

79.24

74.87

64.77

60.49

75.23

71.04

62.38

57.15

F04[N-N]

7

3

5

6

78.32

74.14

63.14

60.63

74.16

70.02

61.79

57.69

Bioassay Protocol

8

7

3

5

79.15

75.54

65.15

62.25

76.03

72.87

63.76

59.34

nHDon

11

19

18

19

77.63

74.18

63.05

60.02

75.12

71.17

60.34

57.28

H-050

21

7

7

9

76.95

73.57

63.72

60.35

74.34

71.09

59.28

56.94

nDB

13

24

21

25

75.37

73.89

62.83

59.25

73.22

70.18

60.47

56.74

F07[C-Br]

17

12

15

16

77.25

74.58

63.04

60.42

73.96

71.65

61.07

58.15

F02[N-O]

25

16

13

15

76.14

73.87

62.95

58.72

72.87

70.66

60.84

57.35

N-075

20

17

17

21

78.06

74.92

63.74

60.87

75.64

71.29

62.88

59.04

F06[C-Br]

27

26

25

23

75.44

72.05

61.43

58.28

72.76

69.96

60.03

55.74

F02[N-N]

33

30

26

32

77.83

74.15

63.82

60.96

74.56

70.75

61.44

59.45

N-074

29

35

33

34

76.54

73.47

63.95

60.42

74.75

71.03

60.58

57.96

F03[N-N]

36

31

34

37

75.69

74.26

62.65

59.35

73.48

70.33

59.87

57.28