Publications

This is our catalog of publications authored by IBM researchers, in collaboration with the global research community. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.

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6 results for Jean-Louis Reymond

Transfer learning enables the molecular transformer to predict regio- and stereoselective reactions on carbohydrates
- - Giorgio Pesciullesi
  - Philippe Schwaller
  - et al.
- 2020
- Nature Communications
Extraction of organic chemistry grammar from unsupervised learning of chemical reactions
- - Philippe Schwaller
  - Benjamin Hoover
  - et al.
- 2021
- Science Advances
Mapping the space of chemical reactions using attention-based neural networks
- - Philippe Schwaller
  - Daniel Probst
  - et al.
- 2021
- Nature Machine Intelligence
Reaction classification and yield prediction using the differential reaction fingerprint DRFP
- - Daniel Probst
  - Philippe Schwaller
  - et al.
- 2022
- Digital Discovery
Predicting enzymatic reactions with a molecular transformer
- - David Kreutter
  - Philippe Schwaller
  - et al.
- 2021
- Chemical Science
Prediction of chemical reaction yields using deep learning
- - Philippe Schwaller
  - Alain C. Vaucher
  - et al.
- 2021
- Machine Learning: Science and Tech.