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Deep Learning to Predict the Formation of Quinone Species in Drug Metabolism

Many adverse drug reactions are thought to be caused by electrophilically reactive drug metabolites that conjugate to nucleophilic sites within DNA and proteins, causing cancer or toxic immune responses. Quinone species, including quinone-imines, quinone-methides, and imine-methides, are electrophil...

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Publicat a:Chem Res Toxicol
Autors principals: Hughes, Tyler B., Swamidass, S. Joshua
Format: Artigo
Idioma:Inglês
Publicat: 2017
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC5871348/
https://ncbi.nlm.nih.gov/pubmed/28099803
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.chemrestox.6b00385
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