Steffen Docter, Benoît David, Holger Gohlke
Efficient enzymes and microbial factories are essential to promote the transition toward a sustainable bioeconomy. This review focuses on the progress of artificial intelligence (AI) methods in accelerating the development of optimized biocatalysts and genetic networks in cells. Recent advances in AI in the field of enzyme discovery, engineering, and de novo design are discussed. Additionally, we highlight examples of successful applications of AI in optimizing different components in cells, from gene expression regulation to metabolic pathway optimization and design. Finally, this review emphasizes the challenges limiting the reliability and generalizability of current AI methods.