Inferring experimental procedures from text-based representations of chemical reactions
- Alain C. Vaucher
- Philippe Schwaller
- et al.
- 2021
- Nature Communications
Publications
3499 results for Materials Discovery
Automated in silico screening of nanoporous materials for enhanced CO2 capture
- 2021
- MRS Spring Meeting 2021
Extraction of organic chemistry grammar from unsupervised learning of chemical reactions
- Philippe Schwaller
- Benjamin Hoover
- et al.
- 2021
- Science Advances
Learning from literature-extracted synthesis actions for organic synthesis
- Alain Vaucher
- Philippe Schwaller
- et al.
- 2021
- ACS Spring 2021
Transformer-based neural networks capture organic chemistry grammar from unsupervised learning of chemical reactions
- Philippe Schwaller
- Benjamin Hoover
- et al.
- 2021
- ACS Spring 2021
Prediction of chemical reaction yields using deep learning
- Philippe Schwaller
- Alain C. Vaucher
- et al.
- 2021
- Machine Learning: Science and Tech.
Unassisted noise reduction of chemical reaction datasets
- Alessandra Toniato
- Philippe Schwaller
- et al.
- 2021
- Nature Machine Intelligence
Automated in silico optimisation of nanoporous material morphology for enhanced carbon dioxide adsorption
- Rodrigo Ferreira
- Fausto Martelli
- et al.
- 2021
- APS March Meeting 2021
Small Data Enabled Prediction and Verification of Potential Polymer Membranes for CO2 Separation
- Hsianghan Hsu
- Ronaldo Giro
- et al.
- 2021
- APS March Meeting 2021
Simulating fluid flow with carbon dioxide in digital rock
- Mathias Steiner
- Rodrigo Ferreira
- et al.
- 2021
- APS March Meeting 2021