May 6, 2024
Machine learning classifies catalytic-reaction mechanisms

Machine learning classifies catalytic-reaction mechanisms

Nature, Published online: 25 January 2023; doi:10.1038/d41586-023-00145-7

The study of how chemical reactions work is key to the design of new reactions, but relies on hard work and expert knowledge. A machine-learning tool has been developed that could change the way this challenge is approached.

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