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Table 5 Distribution of labels in the trypsin-like protease data set for different activity cutoffs

From: A ranking method for the concurrent learning of compounds with various activity profiles

 

Percentage of compounds with label

Cutoff

3

2

1

0

5.6

15

25

5

55

6.1

25

23

4

48

6.6

32

17

3

48

  1. In this overview avoiding Thr is more important than Try. In the reverse case the values for the labels 2 and 1 just have to be switched. The activity cutoff is given in pK i .