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Prediction of Cytochrome P450 Profiles of Environmental Chemicals with QSAR Models Built from Drug-like Molecules

The human cytochrome P450 (CYP) enzyme family is involved in the biotransformation of many xenobiotics. As part of the U.S. Tox21 Phase I effort, we profiled the CYP activity of approximately three thousand compounds, primarily those of environmental concern, against human CYP1A2, CYP2C19, CYP2C9, C...

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Detalles Bibliográficos
Main Authors: Sun, Hongmao, Veith, Henrike, Xia, Menghang, Austin, Christopher P., Tice, Raymond R., Huang, Ruili
Formato: Artigo
Idioma:Inglês
Publicado: 2012
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC3583379/
https://ncbi.nlm.nih.gov/pubmed/23459712
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/minf.201200065
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