Table 4. Frequency of Application of Ring–Chain Rules in the Systematic Generation of Ring–Chain Tautomers in AMS Database.
SMIRKS rule | count | % |
---|---|---|
3-exo-trig | 65 435 | 0.31 |
4-exo-trig | 10 560 | 0.05 |
5-exo-trig | 7 506 722 | 35.09 |
6-exo-trig | 5 289 114 | 24.72 |
7-exo-trig | 4 185 292 | 19.56 |
5-exo-dig | 179 567 | 0.84 |
6-exo-dig | 472 074 | 2.21 |
7-exo-dig | 3 293 445 | 15.40 |
5-endo-trig | 169 007 | 0.79 |
6-endo-trig | 156 371 | 0.73 |
7-endo-trig | 65 239 | 0.30 |