Parallel and distributed thompson sampling for large-scale accelerated exploration of chemical space
- José Miguel Hernández-Lobato
- James Requeima
- et al.
- 2017
- ICML 2017
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5 results for Alan Aspuru-Guzik
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
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