Publications

This is our catalog of recent publications authored by IBM researchers, in collaboration with the global research community. We’re currently adding our back catalog of more than 110,000 publications. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.

Featured collections

Popular topics

Year

5 results for Théophile Gaudin

Molecular Transformer: A Model for Uncertainty-Calibrated Chemical Reaction Prediction
- - Philippe Schwaller
  - Teodoro Laino
  - et al.
- 2019
- ACS Central Science
A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis
- - Tobias Gensch
  - Gabriel Dos Passos Gomes
  - et al.
- 2022
- JACS
Routescore: Punching the Ticket to More Efficient Materials Development
- - Martin Seifrid
  - Riley J. Hickman
  - et al.
- 2022
- ACS Central Science
"Found in Translation": predicting outcomes of complex organic chemistry reactions using neural sequence-to-sequence models
- - Philippe Schwaller
  - Théophile Gaudin
  - et al.
- 2018
- Chemical Science
SELFIES and the future of molecular string representations
- - Mario Krenn
  - Qianxiang Ai
  - et al.
- 2022
- Patterns