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In MedChemComm ; h5-index 0.0

Currently, there is no established technique that allows the function of a compound produced by nature to be predicted by looking at its 2-dimensional chemical structure. One of chemistry's grand challenges: to find a function for every known metabolite. We explore the opportunity for Artificial Intelligence to provide rationale interrogation of metabolites to predict their function.

Liu Miaomiao, Karuso Peter, Feng Yunjiang, Kellenberger Esther, Liu Fei, Wang Can, Quinn Ronald J