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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Detalles Bibliográficos
Autores principales: Rudik, Anastasia V., Dmitriev, Alexander V., Lagunin, Alexey A., Filimonov, Dmitry A., Poroikov, Vladimir V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2016
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5127045/
https://www.ncbi.nlm.nih.gov/pubmed/27994650
http://dx.doi.org/10.1186/s13321-016-0183-x

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5127045/
https://www.ncbi.nlm.nih.gov/pubmed/27994650
http://dx.doi.org/10.1186/s13321-016-0183-x

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