Molecular Transformer: A Model for Uncertainty-Calibrated Chemical Reaction Prediction
- Philippe Schwaller
- Teodoro Laino
- et al.
- 2019
- ACS Central Science
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7 results for Théophile Gaudin
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
Fueling the Digital Chemistry Revolution with Language Models
- Antonio Cardinale
- Alessandro Castrogiovanni
- et al.
- 2023
- Chimia
"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
Augmenting Polymer Datasets by Iterative Rearrangement
- Stanley Lo
- Martin Seifrid
- et al.
- 2023
- J. Chem. Inf. Model.
SELFIES and the future of molecular string representations
- Mario Krenn
- Qianxiang Ai
- et al.
- 2022
- Patterns