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.
Open-source platform to benchmark fingerprints for ligand-based virtual screening.Journal of cheminformatics, 5(1):26
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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.