Journal
MEDCHEMCOMM
Volume 10, Issue 10, Pages 1667-1677Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c9md00128j
Keywords
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Funding
- Australian Research Council [DP160101429]
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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.
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