April 20, 2024 In Unkategorisiert
Bayesian optimisation for additive screening and yield enhancements – past one-hot encoding
Digital Discovery, 2024, 3,654-666
DOI: 10.1039/D3DD00096F, Paper
DOI: 10.1039/D3DD00096F, Paper
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Bojana Ranković, Ryan-Rhys Griffiths, Henry B. Moss, Philippe Schwaller
Cost-effective Bayesian optimisation screening of 720 additives on four complex reactions, achieving substantial yield improvements over baselines using chemical reaction representations beyond one-hot encoding.
The content of this RSS Feed (c) The Royal Society of Chemistry
Cost-effective Bayesian optimisation screening of 720 additives on four complex reactions, achieving substantial yield improvements over baselines using chemical reaction representations beyond one-hot encoding.
The content of this RSS Feed (c) The Royal Society of Chemistry
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