Table 7 Classification report analysis of ML and DL model on DTI datasets.

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

BindingDB-Kd

BindingDB-Ki

BindingDB-IC50

ML/DL

Class

Precision

Recall

F1-Score

ML/DL

Class

Precision

Recall

F1-Score

ML/DL

Class

Precision

Recall

F1-Score

DTC

No

96.49

96.45

96.47

DTC

No

89.40

89.92

89.66

DTC

No

94.20

94.04

94.12

DTC

Yes

96.44

96.49

96.46

DTC

Yes

89.95

89.43

89.69

DTC

Yes

94.03

94.20

94.11

MLP

No

96.41

97.91

97.15

MLP

No

88.20

91.35

89.74

MLP

No

92.05

96.92

94.42

MLP

Yes

97.87

96.35

97.10

MLP

Yes

91.11

87.88

89.47

MLP

Yes

96.74

91.60

94.10

RFC

No

96.20

98.82

97.49

RFC

No

90.25

93.40

91.80

RFC

No

94.50

96.42

95.45

RFC

Yes

98.78

96.09

97.42

RFC

Yes

93.22

90.00

91.58

RFC

Yes

96.34

94.37

95.34

FCNN

No

95.59

98.84

97.19

FCNN

No

84.62

95.42

89.70

FCNN

No

89.94

98.93

94.22

FCNN

Yes

98.80

95.43

97.09

FCNN

Yes

94.81

82.81

88.41

FCNN

Yes

98.81

88.90

93.59

MHA-FCNN

No

95.85

98.70

97.26

MHA-FCNN

No

84.38

95.29

89.51

MHA-FCNN

No

90.88

98.20

94.40

MHA-FCNN

Yes

98.66

95.72

97.17

MHA-FCNN

Yes

94.65

82.52

88.17

MHA-FCNN

Yes

98.03

90.12

93.91

DeepLPI

No

96.24

97.88

97.05

DeepLPI

No

89.07

92.28

90.65

DeepLPI

No

92.40

95.95

94.14

DeepLPI

Yes

97.84

96.17

97.00

DeepLPI

Yes

92.07

88.78

90.39

DeepLPI

Yes

95.78

92.08

93.89

BarlowDTI

No

96.42

97.96

97.19

BarlowDTI

No

90.09

90.40

90.24

BarlowDTI

No

92.54

97.03

94.73

BarlowDTI

Yes

97.92

96.36

97.13

BarlowDTI

Yes

90.45

90.14

90.29

BarlowDTI

Yes

96.86

92.15

94.45

Komet

No

96.31

98.59

97.44

Komet

No

87.11

95.21

90.98

Komet

No

91.26

98.41

94.70

Komet

Yes

98.55

96.22

97.37

Komet

Yes

94.77

86.04

90.19

Komet

Yes

98.27

90.55

94.25

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