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Table 4 LigTMap prediction on the 250 decoys for the 5 protein targets from the benchmark target classes

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

Intended target

Top 1

Top 5

Top 10

Fail

%Top-10

%Fail

Beta secretase I

2

9

14

36

28%

72%

Bromodomain IV

3

14

21

29

42%

58%

Carbonic anhydrase II

0

2

3

47

6%

94%

HIV Reverse transcriptase

0

1

1

49

2%

98%

Kinase PLK1

0

1

2

48

4%

96%