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Research Article

Comparative QSAR in Toxicology: Examples from Teratology and Cancer Chemotherapy of Aniline Mustards

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Pages 67-89 | Published online: 25 Sep 2008

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Rajni Garg, Alka Kurup & Corwin Hansch. (2001) Comparative QSAR: On the Toxicology of the Phenolic OH Moiety. Critical Reviews in Toxicology 31:2, pages 223-245.
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C. Hansch & L. Zhang. (1995) Comparative QSAR: Radical Toxicity and Scavenging. Two Different Sides of the Same Coin. SAR and QSAR in Environmental Research 4:2-3, pages 73-82.
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Kyaw Zeyar Myint & Xiang-Qun Xie. (2010) Recent Advances in Fragment-Based QSAR and Multi-Dimensional QSAR Methods. International Journal of Molecular Sciences 11:10, pages 3846-3866.
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Peter A. DiMaggioJr.Jr., Scott R. McAllister, Christodoulos A. Floudas, Xiao‐Jiang Feng, Genyuan Li, Joshua D. Rabinowitz & Herschel A. Rabitz. (2009) Enhancing molecular discovery using descriptor‐free rearrangement clustering techniques for sparse data sets. AIChE Journal 56:2, pages 405-418.
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Corwin Hansch & Rajeshwar P. Verma. (2009) Overcoming Tumor Drug Resistance with C2-Modified 10-Deacetyl-7-propionyl Cephalomannines: A QSAR Study. Molecular Pharmaceutics 6:3, pages 849-860.
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Jochen Heidler & Rolf U. Halden. (2008) Meta-Analysis of Mass Balances Examining Chemical Fate during Wastewater Treatment. Environmental Science & Technology 42:17, pages 6324-6332.
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Michael D. Smith & Elizabeth M. Hill. (2004) Uptake and metabolism of technical nonylphenol and its brominated analogues in the roach (Rutilus rutilus). Aquatic Toxicology 69:4, pages 359-370.
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Weida Tong, Qian Xie, Huixiao Hong, Leming Shi, Hong Fang & Roger Perkins. (2004) Assessment of Prediction Confidence and Domain Extrapolation of Two Structure–Activity Relationship Models for Predicting Estrogen Receptor Binding Activity. Environmental Health Perspectives 112:12, pages 1249-1254.
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Weida Tong, Hong Fang, Huixiao Hong, Qian Xie, Roger Perkins & Daniel Sheehan. 2004. Predicting Chemical Toxicity and Fate. Predicting Chemical Toxicity and Fate.
Roger Perkins, Hong Fang, Weida Tong & William J. Welsh. (2009) Quantitative structure‐activity relationship methods: Perspectives on drug discovery and toxicology. Environmental Toxicology and Chemistry 22:8, pages 1666-1679.
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Donald J. AbrahamC. D. Selassie. 2003. Burger's Medicinal Chemistry and Drug Discovery. Burger's Medicinal Chemistry and Drug Discovery 1 48 .
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Aiko YAMAUCHI, Eiko NAKATA DOOLIN & Hiroshi CHUMAN. (2003) Construction of a Growing Information-Community for Teratogenic Agents. Journal of Computer Chemistry, Japan 2:3, pages 71-78.
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Mark T. D. Cronin. 2003. Modern Methods of Drug Discovery. Modern Methods of Drug Discovery 259 278 .
Cynthia D. Selassie, Rajni Garg, Sanjay Kapur, Alka Kurup, Rajeshwar P. Verma, Suresh Babu Mekapati & Corwin Hansch. (2002) Comparative QSAR and the Radical Toxicity of Various Functional Groups. Chemical Reviews 102:7, pages 2585-2606.
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Corwin Hansch, Alka Kurup, Rajni Garg & Hua Gao. (2001) Chem-Bioinformatics and QSAR:  A Review of QSAR Lacking Positive Hydrophobic Terms. Chemical Reviews 101:3, pages 619-672.
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Rajni Garg, Sanjay Kapur & Corwin Hansch. (2001) Radical toxicity of phenols: A reference point for obtaining perspective in the formulation of QSAR. Medicinal Research Reviews 21:1, pages 73-82.
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Corwin Hansch, Susan C. McKarns, Carr J. Smith & David J. Doolittle. (2000) Comparative QSAR evidence for a free-radical mechanism of phenol-induced toxicity. Chemico-Biological Interactions 127:1, pages 61-72.
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A. Baeten, M. Tafazoli, M. Kirsch-Volders & P. Geerlings. (1999) Use of the HSAB principle in quantitative structure-activity relationships in toxicological research: Application to the genotoxicity of chlorinated hydrocarbons. International Journal of Quantum Chemistry 74:3, pages 351-355.
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Cynthia D. Selassie, Tushini V. DeSoyza, Melissa Rosario, Hua Gao & Corwin Hansch. (1998) Phenol toxicity in leukemia cells: a radical process?. Chemico-Biological Interactions 113:3, pages 175-190.
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Corwin Hansch & Hua Gao. (1997) Comparative QSAR:  Radical Reactions of Benzene Derivatives in Chemistry and Biology. Chemical Reviews 97:8, pages 2995-3060.
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W TongR PerkinsR StrelitzE R CollantesS KeenanW J WelshW S BranhamD M Sheehan. (1997) Quantitative structure-activity relationships (QSARs) for estrogen binding to the estrogen receptor: predictions across species.. Environmental Health Perspectives 105:10, pages 1116-1124.
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Michael Ghanooni, Donald R. Mattison, Ying P. Zhang, Orest T. Macina, Herbert S. Rosenkranz & Gilles Klopman. (1997) Structural determinants associated with risk of human developmental toxicity. American Journal of Obstetrics and Gynecology 176:4, pages 799-806.
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IAN DE G. MITCHELL & ROBERT D. COMBES. 1997. In Vitro Methods in Pharmaceutical Research. In Vitro Methods in Pharmaceutical Research 317 352 .
Ann M. Richard & E. Sidney Hunter. (1996) Quantitative structure-activity relationships for the developmental toxicity of haloacetic acids in mammalian whole embryo culture. Teratology 53:6, pages 352-360.
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Mati Karelson, Victor S. Lobanov & Alan R. Katritzky. (1996) Quantum-Chemical Descriptors in QSAR/QSPR Studies. Chemical Reviews 96:3, pages 1027-1044.
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Corwin Hansch, David Hoekman & Hua Gao. (1996) Comparative QSAR:  Toward a Deeper Understanding of Chemicobiological Interactions. Chemical Reviews 96:3, pages 1045-1076.
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