Publications

19 results for Philippe Schwaller

Low-data regime yield predictions with uncertainty estimation using deep learning approaches
- - Philippe Schwaller
  - Alain Vaucher
  - et al.
- 2021
- ACS Fall 2021
Talk
POCSTagger: Identifying part-of-chemical-speech with transformers
- - Alessandra Toniato
  - Philippe Schwaller
  - et al.
- 2021
- ACS Fall 2021
Talk
Inferring missing molecules in incomplete chemical equations
- - Alain Vaucher
  - Philippe Schwaller
  - et al.
- 2021
- ACS Fall 2021
Talk
Learning from literature-extracted synthesis actions for organic synthesis
- - Alain Vaucher
  - Philippe Schwaller
  - et al.
- 2021
- ACS Spring 2021
Talk
Transformer-based neural networks capture organic chemistry grammar from unsupervised learning of chemical reactions
- - Philippe Schwaller
  - Benjamin Hoover
  - et al.
- 2021
- ACS Spring 2021
Talk
Data augmentation strategies to improve reaction yield predictions and estimate uncertainty
- - Philippe Schwaller
  - Alain Vaucher
  - et al.
- 2020
- NeurIPS 2020
Workshop paper
Completion of partial reaction equations
- - Alain Vaucher
  - Philippe Schwaller
  - et al.
- 2020
- NeurIPS 2020
Workshop paper
Chemistry puppeteer: Enhancing the diversity of retrosynthetic predictions
- - Alessandra Toniato
  - Philippe Schwaller
  - et al.
- 2020
- ACS Fall 2020
Talk
Reaction Transformers for Fingerprints, Classification and Atom-Mapping
- - Philippe Schwaller
  - Daniel Probst
  - et al.
- 2020
- ACS Fall 2020
Talk