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. 2018 Oct 13;47(Database issue):D1229–D1235. doi: 10.1093/nar/gky940

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