Nature, Published online: 01 October 2025; doi:10.1038/d41586-025-03161-x

An approach that identifies, and predicts compatibility between, chemical and enzyme-sequence spaces can streamline and reduce risk in the discovery of enzymes that can catalyse a desired reaction. The strategy uses high-throughput experiments to generate data about enzyme-mediated reactions, and there is a tool that can predict compatible substrate–enzyme pairs.

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