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We reasoned that this approach could be adapted to search a database of hypothetical metabolites generated by DeepMet, in analogy to approaches that search databases of combinatorially enumerated structures 35,36 and in line with an approach proposed, although not implemented, by a previous study 35

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Nat Rev Genet 13:358369 Prot JM, Briffaut A-S, Letourneur F, Chafey P, Merlier F, Grandvalet Y, Legallais C, Leclerc E (2011) Integrated proteomic and transcriptomic investigation of the acetaminophen toxicity in liver microfluidic biochip