A virtual platform for automated hybrid organic-enzymatic synthesis planning.

ABSTRACT: The integration of organic synthesis with enzymatic catalysis offers a promising route toward efficient and sustainable construction of complex molecules. While organic synthesis enables diverse transformations, enzymatic catalysis enhances stereoselectivity under mild conditions, improving cost-effectiveness and environmental impact. However, current enzymatic synthesis planning algorithms face challenges in formulating robust hybrid organic-enzymatic strategies. Key issues include the difficulty in devising hybrid planning approaches and the reliance on template-based enzyme recommendations, which limits their adaptability across diverse scenarios. Here we show ChemEnzyRetroPlanner, an open-source hybrid synthesis planning platform that combines organic and enzymatic strategies with AI-d

SUBMITTER: Wang X 

PROVIDER: S-EPMC12686493 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature