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Table 3 The number of RG cores extracted as the similarity threshold and the minimum number of nodes are varied

From: Visualising lead optimisation series using reduced graphs

  

Minimum RG core size

2

3

4

5

6

7

Similarity threshold

0.1

3

5

8

11

17

26

0.2

3

5

7

9

18

22

0.3

3

5

8

12

19

30

0.4

3

6

8

13

20

27

0.5

3

5

8

13

20

30

0.6

3

5

8

13

20

33

0.7

3

5

8

13

20

32

0.8

3

5

8

12

20

34

0.9

3

5

8

13

20

42