Is it time for artificial intelligence to predict the function of natural products based on 2D-structure.
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ABSTRACT:
SUBMITTER: Liu M
PROVIDER: S-EPMC6836574 | biostudies-literature | 2019 Oct
REPOSITORIES: biostudies-literature
Publications
Is it time for artificial intelligence to predict the function of natural products based on 2D-structure.
Liu Miaomiao M Karuso Peter P Feng Yunjiang Y Kellenberger Esther E Liu Fei F Wang Can C Quinn Ronald J RJ
MedChemComm 20190606 10
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. ...[more]
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