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Table 5 The number of top-1, top-10, and failure predictions in the benchmark set for five target prediction servers

From: LigTMap: ligand and structure-based target identification and activity prediction for small molecular compounds

 

SwissTargetPrediction

SEA

SuperPred

HitPick

LigTMap

Top 1

Top 10

Fail

Top 1

Top 10

Fail

Top 1

Top 10

Fail

Top 1

Top 10

Fail

Top 1

Top 10

Fail

Beta-secretase

16

19

0

17

19

0

9

19

0

6

6

13

15

19

0

Bromodomain

17

19

0

19

19

0

0

0

19

0

0

19

14

18

1

Kinase

10

13

5

1

18

0

0

0

18

10

10

8

3

13

5

Carbonic anhydrase

8

9

7

4

8

8

6

7

8

1

5

8

13

16

0

Ligase

0

0

5

0

0

5

0

0

5

0

0

5

0

0

5

Total

51

60

17

41

64

13

15

27

50

17

24

53

45

66

11

(%)

66

78

22

53

83

17

19

35

65

22

31

69

59

86

14