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Prediction of reacting atoms for the major biotransformation reactions of organic xenobiotics

BACKGROUND: The knowledge of drug metabolite structures is essential at the early stage of drug discovery to understand the potential liabilities and risks connected with biotransformation. The determination of the site of a molecule at which a particular metabolic reaction occurs could be used as a...

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Détails bibliographiques
Publié dans:J Cheminform
Auteurs principaux: Rudik, Anastasia V., Dmitriev, Alexander V., Lagunin, Alexey A., Filimonov, Dmitry A., Poroikov, Vladimir V.
Format: Artigo
Langue:Inglês
Publié: Springer International Publishing 2016
Sujets:
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC5127045/
https://ncbi.nlm.nih.gov/pubmed/27994650
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-016-0183-x
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