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Xenobiotica
the fate of foreign compounds in biological systems
Volume 43, 2013 - Issue 9
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Research Article

Development of quantitative structure-metabolism (QSMR) relationships for substituted anilines based on computational chemistry

Toby J. AthersuchDepartment of Surgery and Cancer, Faculty of Medicine, Biomolecular Medicine, Imperial College London South Kensington SW7 2AZUK;Department of Epidemiology and Biostatistics, Faculty of Medicine, MRC-HPA Centre for Environment and Health, School of Public Health, Imperial College London Norfolk Place, London W2 1PGUKCorrespondence[email protected]
,
Ian D. WilsonDepartment of Surgery and Cancer, Faculty of Medicine, Biomolecular Medicine, Imperial College London South Kensington SW7 2AZUK
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Hector C. KeunDepartment of Surgery and Cancer, Faculty of Medicine, Biomolecular Medicine, Imperial College London South Kensington SW7 2AZUK;Department of Epidemiology and Biostatistics, Faculty of Medicine, MRC-HPA Centre for Environment and Health, School of Public Health, Imperial College London Norfolk Place, London W2 1PGUK
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John C. LindonDepartment of Surgery and Cancer, Faculty of Medicine, Biomolecular Medicine, Imperial College London South Kensington SW7 2AZUK
Pages 792-802 | Received 03 Dec 2012, Accepted 15 Jan 2013, Published online: 06 Feb 2013

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Jose Serrano, Mark A. Tapper, Richard C. Kolanczyk, Barbara R. Sheedy, Tylor Lahren, Dean E. Hammermeister, Jeffrey S. Denny, Michael W. Hornung, Alena Kubátová, Patricia A. Kosian, Jessica Voelker & Patricia K. Schmieder. (2020) Metabolism of cyclic phenones in rainbow trout in vitro assays. Xenobiotica 50:2, pages 115-131.
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Catherine Duckett, Michael McCullagh, Christopher Smith & Ian D Wilson. (2015) The metabolism of 4-bromoaniline in the bile-cannulated rat: application of ICPMS (79/81Br), HPLC-ICPMS & HPLC-oaTOFMS. Xenobiotica 45:8, pages 672-680.
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Articles from other publishers (3)

Wei-Chun Chou & Zhoumeng Lin. (2023) Machine learning and artificial intelligence in physiologically based pharmacokinetic modeling. Toxicological Sciences 191:1, pages 1-14.
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Da-Som Lim, Do-Hyung Lim, Ji-Ho Lee, Eun-Tae Oh & Young-Soo Keum. (2017) Structure–Oxidative Metabolism Relationships of Substituted Flavones by Aspergillus niger . Journal of Agricultural and Food Chemistry 65:14, pages 3056-3064.
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Bernard Testa. 2014. Drug Metabolism Prediction. Drug Metabolism Prediction 1 26 .

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