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Table 3 Direct testing results with 20 new molecules

From: Integrative relational machine-learning for understanding drug side-effect profiles

SEP

Positives

DT

ILP

  

TP

FP

FAERS

TP

FP

FAERS

SEP_1

4

0

5

1

2

3

1

SEP_2

11

1

2

1

0

1

1

SEP_3

2

0

3

1

0

5

1

SEP_4

3

0

3

1

1

2

1

SEP_5

5

0

2

1

1

2

1

SEP_6

5

1

5

3

2

3

1

SEP_7

15

2

2

1

2

1

1

SEP_8

4

1

1

1

1

3

1

SEP_9

3

0

3

2

0

3

1

SEP_10

5

0

1

0

0

3

1

SEP_11

4

1

3

2

1

3

1

SEP_12

0

0

5

1

0

4

1

SEP_13

4

0

6

2

1

4

1

SEP_14

4

1

0

0

1

5

2

SEP_15

1

0

2

1

0

5

2

SEP_16

3

0

6

2

2

7

3

SEP_17

1

0

5

3

0

2

1

SEP_18

2

0

3

1

0

2

1

SEP_19

1

0

4

2

0

5

2

SEP_20

3

0

3

1

1

4

1

SEP_21

8

1

2

1

1

2

1

SEP_22

5

0

3

1

1

5

1

SEP_23

3

0

3

1

1

4

1

SEP_24

5

1

4

2

2

5

2

SEP_25

8

0

3

2

2

5

2

SEP_26

4

0

6

3

0

3

1

  1. Positives: number of positive examples in the test set according to SIDER, TP/FP: number of predicted true/false positives, FAERS: number of fished out molecules based on FAERS data.