Is it time for artificial intelligence to predict the function of natural products based on 2D-structure

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

Research output: Contribution to journalReview articleResearchpeer-review

Abstract

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.

LanguageEnglish
Pages1667-1677
Number of pages11
JournalMedChemComm
Volume10
Issue number10
DOIs
Publication statusPublished - 1 Oct 2019

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Artificial Intelligence
Biological Products
Artificial intelligence
Metabolites

Cite this

Liu, Miaomiao ; Karuso, Peter ; Feng, Yunjiang ; Kellenberger, Esther ; Liu, Fei ; Wang, Can ; Quinn, Ronald J. / Is it time for artificial intelligence to predict the function of natural products based on 2D-structure. In: MedChemComm. 2019 ; Vol. 10, No. 10. pp. 1667-1677.
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Is it time for artificial intelligence to predict the function of natural products based on 2D-structure. / Liu, Miaomiao; Karuso, Peter; Feng, Yunjiang; Kellenberger, Esther; Liu, Fei; Wang, Can; Quinn, Ronald J.

In: MedChemComm, Vol. 10, No. 10, 01.10.2019, p. 1667-1677.

Research output: Contribution to journalReview articleResearchpeer-review

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