Table 5 Regio- and stereoselectivity of monosubstituted alkenes in the training set and generated set
From: From theory to experiment: transformer-based generation enables rapid discovery of novel reactions
Classification of monosubstituted alkenes | Amount | Ratio (%) | ||
|---|---|---|---|---|
Training | Generated | Training | Generated | |
α-position | 440 | 62 | 5.59 | 2.90 |
β-position | ||||
E | 7397 | 2078 | 94.04 | 97.06 |
Z | 29 | 1 | 0.37 | 0.04 |
Total | 7866 | 2141 | 100 | 100 |