Inferring experimental procedures from text-based representations of chemical reactions

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.

Bibliographic Details
Main Authors: Alain C. Vaucher, Philippe Schwaller, Joppe Geluykens, Vishnu H. Nair, Anna Iuliano, Teodoro Laino
Format: Article
Language:English
Published: Nature Publishing Group 2021-05-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-021-22951-1