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Xenobiotica
the fate of foreign compounds in biological systems
Volume 17, 1987 - Issue 11
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Original Article

Molecular orbital calculations and quantitative structure-activity relationships for some polyaromatic hydrocarbons

David F. V. Lewis Department of Biochemistry, University of Surrey, Guildford, Surrey, England
Pages 1351-1361 | Received 17 Dec 1986, Published online: 30 Sep 2009

Citations (8)

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Ivy Moffat, Nikolai L. Chepelev, Sarah Labib, Julie Bourdon-Lacombe, Byron Kuo, Julie K. Buick, France Lemieux, Andrew Williams, Sabina Halappanavar, Amal I Malik, Mirjam Luijten, Jiri Aubrecht, Daniel R. Hyduke, Albert J. Fornace$suffix/text()$suffix/text(), Carol D. Swartz, Leslie Recio & Carole L. Yauk. (2015) Comparison of toxicogenomics and traditional approaches to inform mode of action and points of departure in human health risk assessment of benzo[a]pyrene in drinking water. Critical Reviews in Toxicology 45:1, pages 1-43.
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David F. V. Lewis. (1997) Quantitative Structure-Activity Relationships in Substrates, Inducers, and Inhibitors of Cytochrome P4501 (CYP1). Drug Metabolism Reviews 29:3, pages 589-650.
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Articles from other publishers (6)

David F.V. Lewis, Costas Ioannides & Dennis V. Parke. (2003) A quantitative structure-activity relationship (QSAR) study of mutagenicity in several series of organic chemicals likely to be activated by cytochrome P450 enzymes. Teratogenesis, Carcinogenesis, and Mutagenesis 23:S1, pages 187-193.
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David F?V Lewis. (2001) COMPACT: a structural approach to the modelling of cytochromes P450 and their interactions with xenobiotics. Journal of Chemical Technology & Biotechnology 76:3, pages 237-244.
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Kari Tuppurainen. (1999) Frontier orbital energies, hydrophobicity and steric factors as physical qsar descriptors of molecular mutagenicity. A review with a case study: MX compounds. Chemosphere 38:13, pages 3015-3030.
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Mark T. D. Cronin & John C. Dearden. (2006) QSAR in Toxicology. 3. Prediction of Chronic Toxicities. Quantitative Structure-Activity Relationships 14:4, pages 329-334.
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Litai Zhang, Kristin Sannes, Alan J. Shusterman & Corwin Hansch. (1992) The structure-activity relationship of skin carcinogenicity of aromatic hydrocarbons and heterocycles. Chemico-Biological Interactions 81:1-2, pages 149-180.
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David F. V. Lewis. 1992. Reviews in Computational Chemistry. Reviews in Computational Chemistry 173 222 .

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