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10.12688/f1000research.9970.1 46 LeeM

Melatonin should be taken at an appropriate time (too early and the person might fight it and override it

To avoid conflating predictions made by our chemical language model with an orthogonal set of predictions based on chemical reaction rules or combinatorial enumeration, we trained our language model exclusively on metabolites annotated as detected or quantified. Moreover, we found that among the 8,970 detected or quantified metabolites, the vast majority (6,791) of these were lipids