A neural network pipeline ranks plausible multistep metabolic pathways after training binary classifiers on real versus artificially generated reactions from public databases and enzymatic templates.
Retrosynthetic design of metabolic pathways to chemicals not found in nature.Current Opinion in Systems Biology, 14:82–107
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Computational framework for multistep metabolic pathway design
A neural network pipeline ranks plausible multistep metabolic pathways after training binary classifiers on real versus artificially generated reactions from public databases and enzymatic templates.