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GLORY: Generator of the Structures of Likely Cytochrome P450 Metabolites Based on Predicted Sites of Metabolism

Computational prediction of xenobiotic metabolism can provide valuable information to guide the development of drugs, cosmetics, agrochemicals, and other chemical entities. We have previously developed FAME 2, an effective tool for predicting sites of metabolism (SoMs). In this work, we focus on the...

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Pubblicato in:Front Chem
Autori principali: de Bruyn Kops, Christina, Stork, Conrad, Šícho, Martin, Kochev, Nikolay, Svozil, Daniel, Jeliazkova, Nina, Kirchmair, Johannes
Natura: Artigo
Lingua:Inglês
Pubblicazione: Frontiers Media S.A. 2019
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC6582643/
https://ncbi.nlm.nih.gov/pubmed/31249827
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2019.00402
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