Table 1.
RetroRules database content regarding the number of distinct reaction rules available at each diameter and depending whether or not stereochemistry is expressed in the reaction rules. The ‘All reaction rules’ column is the number of unique reaction rules from the two datasets
Diameter | Number of distinct reaction rules | ||
---|---|---|---|
Dataset not expressing stereochemistry | Dataset expressing stereochemistry | All reaction rules | |
2 | 18 607 | 23 391 | 39 016 |
4 | 24 241 | 28 906 | 49 933 |
6 | 27 686 | 31 734 | 56 544 |
8 | 29 276 | 33 128 | 59 770 |
10 | 30 158 | 33 944 | 61 627 |
12 | 30 762 | 34 519 | 62 854 |
14 | 31 219 | 34 932 | 63 786 |
16 | 31 559 | 35 258 | 64 453 |