Inferring experimental procedures from text-based representations of chemical reactions
oleh: Alain C. Vaucher, Philippe Schwaller, Joppe Geluykens, Vishnu H. Nair, Anna Iuliano, Teodoro Laino
| Format: | Article |
|---|---|
| Diterbitkan: | Nature Portfolio 2021-05-01 |
Deskripsi
In organic chemistry, synthetic routes for new molecules are often specified in terms of reacting molecules only. The current work reports an artificial intelligence model to predict the full sequence of experimental operations for an arbitrary chemical equation.