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SAR and QSAR in Environmental Research Volume 17, 2006 - Issue 1
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Original Articles

Metabolic activation of chemicals: in-silico simulationFootnote†

O. Mekenyan Laboratory of Mathematical Chemistry, Bourgas As. Zlatarov University, 8010 Bourgas, BulgariaCorrespondence[email protected]
,
S. Dimitrov Laboratory of Mathematical Chemistry, Bourgas As. Zlatarov University, 8010 Bourgas, Bulgaria
,
N. Dimitrova Laboratory of Mathematical Chemistry, Bourgas As. Zlatarov University, 8010 Bourgas, Bulgaria
,
G. Dimitrova Laboratory of Mathematical Chemistry, Bourgas As. Zlatarov University, 8010 Bourgas, Bulgaria
,
T. Pavlov Laboratory of Mathematical Chemistry, Bourgas As. Zlatarov University, 8010 Bourgas, Bulgaria
,
G. Chankov Laboratory of Mathematical Chemistry, Bourgas As. Zlatarov University, 8010 Bourgas, Bulgaria
,
S. Kotov Laboratory of Mathematical Chemistry, Bourgas As. Zlatarov University, 8010 Bourgas, Bulgaria
,
K. Vasilev Laboratory of Mathematical Chemistry, Bourgas As. Zlatarov University, 8010 Bourgas, Bulgaria
&
R. Vasilev Laboratory of Mathematical Chemistry, Bourgas As. Zlatarov University, 8010 Bourgas, Bulgaria
 show all
Pages 107-120 | Received 30 Oct 2005, Accepted 26 Dec 2005, Published online: 15 Aug 2006

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Marc Vocanson, Jean-Francois Nicolas & David Basketter. (2013) In vitro approaches to the identification and characterization of skin sensitizers. Expert Review of Dermatology 8:4, pages 395-405.
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P. Ruiz, E. Myshkin, P. Quigley, O. Faroon, J.S. Wheeler, M.M. Mumtaz & R.J. Brennan. (2013) Assessment of hydroxylated metabolites of polychlorinated biphenyls as potential xenoestrogens: a QSAR comparative analysis∗ . SAR and QSAR in Environmental Research 24:5, pages 393-416.
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John Nichols, Susan Erhardt, Scott Dyer, Margaret James, Margo Moore, Kathleen Plotzke, Helmut Segner, Irvin Schultz, Karluss Thomas, Luba Vasiluk & Annie Weisbrod. (2007) Use of In Vitro Absorption, Distribution, Metabolism, and Excretion (ADME) Data in Bioaccumulation Assessments for Fish. Human and Ecological Risk Assessment: An International Journal 13:6, pages 1164-1191.
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David Basketter & Gavin Maxwell. (2007) Identification and characterization of allergens: in vitro approaches. Expert Review of Dermatology 2:4, pages 471-479.
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S. A. Kulkarni, D. Moir & J. Zhu. (2007) Influence of structural and functional modifications of selected genotoxic carcinogens on metabolism and mutagenicity – a review. SAR and QSAR in Environmental Research 18:5-6, pages 459-514.
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David Basketter & Gavin Maxwell. (2007) In Vitro Approaches to the Identification and Characterization of Skin Sensitizers. Cutaneous and Ocular Toxicology 26:4, pages 359-373.
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Judith C Madden & Mark TD Cronin. (2006) Structure-based methods for the prediction of drug metabolism. Expert Opinion on Drug Metabolism & Toxicology 2:4, pages 545-557.
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Alessandra Roncaglioni, Anna LombardoEmilio Benfenati. (2022) The VEGAHUB Platform: The Philosophy and the Tools. Alternatives to Laboratory Animals 50:2, pages 121-135.
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George Mihai Nitulescu, Georgiana Nitulescu, Octavian Tudorel Olaru, Anca Ungurianu & Denisa Margina. 2021. Toxicological Risk Assessment and Multi-System Health Impacts from Exposure. Toxicological Risk Assessment and Multi-System Health Impacts from Exposure 75 83 .
Chia Ming Chang, Chiung-Wen Chang, Fang-Wei Wu, Len Chang & Tien-Cheng Liu. 2020. Ecotoxicological QSARs. Ecotoxicological QSARs 561 589 .
Elisavet D. Bartzoka, Claudia Crestini & Heiko Lange. 2015. Handbook of Polymers for Pharmaceutical Technologies. Handbook of Polymers for Pharmaceutical Technologies 127 203 .
Ovanes G. Mekenyan, Petko I. Petkov, Stefan V. Kotov, Stoyanka Stoeva, Verginia B. Kamenska, Sabcho D. Dimitrov, Masamitsu Honma, Makoto Hayashi, Romualdo Benigni, E. Maria Donner & Grace Patlewicz. (2012) Investigating the Relationship between in Vitro–in Vivo Genotoxicity: Derivation of Mechanistic QSAR Models for in Vivo Liver Genotoxicity and in Vivo Bone Marrow Micronucleus Formation Which Encompass Metabolism. Chemical Research in Toxicology 25:2, pages 277-296.
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Christoph Rücker & Klaus Kümmerer. (2012) Modeling and predicting aquatic aerobic biodegradation – a review from a user's perspective. Green Chemistry 14:4, pages 875.
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Takeshi Morita, Masamitsu Honma & Kaoru Morikawa. (2012) Effect of reducing the top concentration used in the in vitro chromosomal aberration test in CHL cells on the evaluation of industrial chemical genotoxicity. Mutation Research/Genetic Toxicology and Environmental Mutagenesis 741:1-2, pages 32-56.
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Ovanes MekenyanM. Hewitt & C. M. Ellison. 2010. In Silico Toxicology. In Silico Toxicology 301 333 .
Susanne Kern, Kathrin Fenner, Heinz P. Singer, René P. Schwarzenbach & Juliane Hollender. (2009) Identification of Transformation Products of Organic Contaminants in Natural Waters by Computer-Aided Prediction and High-Resolution Mass Spectrometry. Environmental Science & Technology 43:18, pages 7039-7046.
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Marianthi G. Lerapetritou, Panos G. Georgopoulos, Charles M. Roth & Loannis P. Androulakis. (2009) Tissue-Level Modeling of Xenobiotic Metabolism in Liver: An Emerging Tool for Enabling Clinical Translational Research. Clinical and Translational Science 2:3, pages 228-237.
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Tatiana I. Netzeva, Manuela Pavan & Andrew P. Worth. (2008) Review of (Quantitative) Structure–Activity Relationships for Acute Aquatic Toxicity. QSAR & Combinatorial Science 27:1, pages 77-90.
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