Electron flow matching for generative reaction mechanism prediction

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2025-08-20 20:35:16 -

WWW.NATURE.COM

Nature, Published online: 20 August 2025; doi:10.1038/s41586-025-09426-9A new tool based on generative machine learning called FlowER uses flow matching to model reactions as the redistribution of electrons between reactants and products, enabling the enforcement of mass conservation in reaction prediction.

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