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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Shranjeno v:
Bibliografske podrobnosti
izdano v:J Cheminform
Main Authors: Rudik, Anastasia V., Dmitriev, Alexander V., Lagunin, Alexey A., Filimonov, Dmitry A., Poroikov, Vladimir V.
Format: Artigo
Jezik:Inglês
Izdano: Springer International Publishing 2016
Teme:
Research Article
Online dostop: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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