Table 5 Performance analysis of ML and DL models on BindingDB-Ki.

From: Predicting drug-target interactions using machine learning with improved data balancing and feature engineering

Dataset

Threshold

Model

Accuracy

Precision

Sensitivity

Specificity

F1score

Kappa

MCC

ROC-AUC

MAE

MSE

RMSE

BindingDB_Ki

10

DTC

89.68

89.68

89.68

89.92

89.68

79.36

79.36

90.70

10.32

10.32

32.13

MLP

89.61

89.66

89.61

91.35

89.60

79.22

79.27

96.14

10.39

10.39

32.24

RFC

91.69

91.74

91.69

93.40

91.69

83.39

83.44

97.32

8.31

8.31

28.82

FCNN

89.09

89.74

89.09

95.42

89.05

78.19

78.83

95.63

10.91

10.91

33.03

MHA-FCNN

88.88

89.54

88.88

95.29

88.83

77.77

78.42

95.45

11.12

11.12

33.35

DeepLPI

90.52

90.58

90.52

92.28

90.52

81.05

81.10

96.63

9.48

9.48

30.79

BarlowDTI

90.27

90.27

90.27

90.40

90.27

80.54

80.54

96.69

9.73

9.73

31.20

Komet

90.60

90.96

90.60

95.21

90.58

81.21

81.56

96.52

9.40

9.40

30.66

20

DTC

87.24

87.24

87.24

87.69

87.24

74.48

74.49

88.43

12.76

12.76

35.72

MLP

86.93

86.97

86.93

88.53

86.93

73.86

73.90

94.51

13.07

13.07

36.15

RFC

89.78

89.81

89.78

91.30

89.77

79.55

79.59

96.28

10.22

10.22

31.97

FCNN

86.69

87.26

86.69

92.87

86.63

73.37

73.94

94.32

13.31

13.31

36.49

MHA-FCNN

86.67

86.96

86.67

91.08

86.64

73.34

73.63

94.05

13.33

13.33

36.51

DeepLPI

53.56

67.21

53.56

8.94

42.03

7.06

15.59

34.43

46.44

46.44

68.15

BarlowDTI

88.20

88.20

88.20

88.33

88.20

76.39

76.39

95.38

11.80

11.80

34.36

Komet

88.63

88.67

88.63

90.24

88.63

77.26

77.30

95.69

11.37

11.37

33.72

30

DTC

85.91

85.92

85.91

86.26

85.91

71.83

71.83

87.23

14.09

14.09

37.53

MLP

85.26

85.30

85.26

86.86

85.25

70.52

70.56

93.29

14.74

14.74

38.40

RFC

88.62

88.64

88.62

89.68

88.62

77.24

77.26

95.49

11.38

11.38

33.73

FCNN

84.35

84.88

84.35

90.43

84.30

68.72

69.24

92.57

15.65

15.65

39.56

MHA-FCNN

84.31

84.57

84.31

88.50

84.28

68.63

68.88

92.24

15.69

15.69

39.61

DeepLPI

86.96

86.96

86.96

86.64

86.96

73.92

73.92

94.63

13.04

13.04

36.11

BarlowDTI

87.09

87.09

87.09

86.81

87.09

74.18

74.18

94.54

12.91

12.91

35.93

Komet

87.07

87.09

87.07

87.96

87.07

74.15

74.16

94.61

12.93

12.93

35.95

Back to article page