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Table 4 The number of drugs inside and outside of the AD

From: Prediction of the effects of small molecules on the gut microbiome using machine learning method integrating with optimal molecular features

 

Inside

Outside

AD coverage (%)

P

N

P

N

1

Training set

301

637

4

5

99.0

External validation set

86

148

0

2

99.2

2

Training set

297

639

4

5

99.0

External validation set

90

144

0

2

99.2

3

Training set

329

607

4

5

99.0

External validation set

58

177

0

1

99.6

4

Training set

304

632

4

5

99.0

External validation set

82

153

1

0

99.6

5

Training set

333

603

4

5

99.0

External validation set

54

181

0

1

99.6

6

Training set

311

625

4

5

99.0

External validation set

76

159

0

1

99.6

7

Training set

315

621

2

7

99.0

External validation set

72

159

2

3

97.9

8

Training set

316

620

3

6

99.0

External validation set

69

159

3

5

96.6

9

Training set

315

621

5

4

99.0

External validation set

71

164

0

1

99.6

10

Training set

337

599

3

6

99.0

External validation set

50

183

1

2

98.7

11

Training set

311

625

4

5

99.0

External validation set

75

156

1

4

97.9

12

Training set

305

631

3

6

99.0

External validation set

81

152

2

1

98.7

13

Training set

319

617

3

6

99.0

External validation set

68

165

1

2

98.7

14

Training set

325

611

4

5

99.0

External validation set

62

174

0

0

100

15

Training set

319

617

3

6

99.0

External validation set

68

167

1

0

99.6

16

Training set

315

621

3

6

99.0

External validation set

72

160

1

3

98.3

17

Training set

316

620

3

6

99.0

External validation set

72

162

0

2

99.2

18

Training set

312

624

4

5

99.0

External validation set

74

159

1

2

98.7