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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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Bibliografske podrobnosti
izdano v:Front Chem
Main Authors: de Bruyn Kops, Christina, Stork, Conrad, Šícho, Martin, Kochev, Nikolay, Svozil, Daniel, Jeliazkova, Nina, Kirchmair, Johannes
Format: Artigo
Jezik:Inglês
Izdano: Frontiers Media S.A. 2019
Teme:
Online dostop: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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