most citedDistilling and exploiting quantitative insights from Large Language Models for enhanced Bayesian optimization of chemical reactions

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Distilling and exploiting quantitative insights from Large Language Models for enhanced Bayesian optimization of chemical reactions

Roshan Patel, Saeed Moayedpour, Louis De Lescure +4

Machine learning and Bayesian optimization (BO) algorithms can significantly accelerate the optimization of chemical reactions. Transfer learning can bolster the effectiveness of B…