Transfer learning enables the molecular transformer to predict regio- and stereoselective reactions on carbohydrates
Organic reactions can readily be learned by deep learning models, however, stereochemistry is still a challenge. Here, the authors fine tune a general model using a small dataset, then predict and validate experimentally regio- and stereo-selectivity for various carbohydrates transformations.
Enregistré dans:
| Auteurs principaux: | , , , |
|---|---|
| Format: | article |
| Langue: | EN |
| Publié: |
Nature Portfolio
2020
|
| Sujets: | |
| Accès en ligne: | https://doaj.org/article/5d394ff268c64ce3b0faabdee491f557 |
| Tags: |
Ajouter un tag
Pas de tags, Soyez le premier à ajouter un tag!
|