Combining high-quality, humanly curated data with language models: the dawn of on-demand machine learning models for digital chemistry
- 2022
- ACS Fall 2022
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.
17 results for Alain Vaucher
Deep learning assisted Suzuki cross coupling catalyst design
- 2022
- ACS Fall 2022
Augmented disconnection aware retrosynthesis to facilitate user interaction
- 2022
- ACS Fall 2022
Human-in-the-loop for a Disconnection Aware Retrosynthesis
- 2022
- ACS Spring 2022
Disconnection Aware Steering of Retrosynthesis Transformer to Facilitate Materials Design
- 2022
- MRS Fall Meeting 2022
Guiding multistep retrosynthesis planning with continuous pathway representations
- 2022
- ACS Fall 2022
Inferring experimental procedures from text-based representations of chemical reactions
- 2021
- Nature Communications
Automated extraction of chemical synthesis actions from experimental procedures
- 2020
- Nature Communications
Mapping the space of chemical reactions using attention-based neural networks
- 2021
- Nature Machine Intelligence
Increasing the adoption of machine learning technologies by chemists with graphical and programmatic interfaces
- 2023
- ACS Spring 2023