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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Bibliografiska uppgifter
I publikationen:Front Chem
Huvudupphovsmän: de Bruyn Kops, Christina, Stork, Conrad, Šícho, Martin, Kochev, Nikolay, Svozil, Daniel, Jeliazkova, Nina, Kirchmair, Johannes
Materialtyp: Artigo
Språk:Inglês
Publicerad: Frontiers Media S.A. 2019
Ämnen:
Chemistry
Länkar: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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