BiochemistryNature CommunicationsPeer-reviewed
MechFind: A computational framework for de novo prediction of enzyme mechanisms
Austin D. Hartley, Vikas Upadhyay, Veda Sheersh Boorla, Costas D. Maranas
MechFind predicts enzyme mechanisms from reaction stoichiometry, achieving 72% accuracy on a training set and generating 18,000 novel hypotheses across 28,412 reactions.
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