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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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| Gepubliceerd in: | J Cheminform |
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| Hoofdauteurs: | , , , , |
| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
Springer International Publishing
2016
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| Onderwerpen: | |
| Online toegang: | 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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