Autonomous optimisation of biocatalytic reactions: enzymatic synthesis of <i>N</i>-benzyl acetoacetamide in continuous flow.

ABSTRACT: Biocatalysis represents an invaluable tool for developing more sustainable pharmaceutical manufacturing processes. However, the optimisation of these complex transformations remains challenging when using traditional methods. Recent advances in the field of chemical reaction optimisation have employed Bayesian optimisation, which has been successfully integrated into automated flow reactors to develop self-optimising reactor platforms. Although self-optimisation has been applied to chemical transformations with great effect, it has not yet been applied to biocatalytic reactions. In this work, we report the first application of multiobjective and mixed variable Bayesian optimisation for the automated development of a biocatalytic transformation. Using this approach, we develop a significant

SUBMITTER: Takle MJ 

PROVIDER: S-EPMC12434490 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature