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SAR and QSAR in Environmental Research Volume 17, 2006 - Issue 5
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Original Articles

Prediction of tissue: air partition coefficients — theoretical vs. experimental methods

S. C. Basak Natural Resources Research Institute, University of Minnesota Duluth, 5013 Miller Trunk Hwy, Duluth, MN 55811, USACorrespondence[email protected]
,
D. Mills Natural Resources Research Institute, University of Minnesota Duluth, 5013 Miller Trunk Hwy, Duluth, MN 55811, USA
&
B. D. Gute Natural Resources Research Institute, University of Minnesota Duluth, 5013 Miller Trunk Hwy, Duluth, MN 55811, USA
Pages 515-532 | Received 14 Sep 2005, Accepted 15 Jul 2006, Published online: 01 Feb 2007

Citations (17)

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Read on this site (7)

T. Peyret & K. Krishnan. (2011) QSARs for PBPK modelling of environmental contaminants. SAR and QSAR in Environmental Research 22:1-2, pages 129-169.
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S.C. Basak & D. Mills. (2010) Quantitative structure-activity relationships for cycloguanil analogs as PfDHFR inhibitors using mathematical molecular descriptors. SAR and QSAR in Environmental Research 21:3-4, pages 215-229.
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S.C. Basak & D. Mills. (2009) Predicting the vapour pressure of chemicals from structure: a comparison of graph theoretic versus quantum chemical descriptors. SAR and QSAR in Environmental Research 20:1-2, pages 119-132.
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E. Kamgang, T. Peyret & K. Krishnan. (2008) An integrated QSPR–PBPK modelling approach for in vitro–in vivo extrapolation of pharmacokinetics in rats† . SAR and QSAR in Environmental Research 19:7-8, pages 669-680.
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D.M. Hawkins, J.J. Kraker, S.C. Basak & D. Mills. (2008) QSPR checking and validation: a case study with hydroxy radical reaction rate constant. SAR and QSAR in Environmental Research 19:5-6, pages 525-539.
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RonaldE. Baynes, Xin-Rui Xia, BethM. Barlow & JimE. Riviere. (2007) Partitioning Behavior of Aromatic Components in Jet Fuel into Diverse Membrane-coated Fibers. Journal of Toxicology and Environmental Health, Part A 70:22, pages 1879-1887.
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S. C. Basak, D. Mills & M. M. Mumtaz. (2007) A quantitative structure–activity relationship (QSAR) study of dermal absorption using theoretical molecular descriptors . SAR and QSAR in Environmental Research 18:1-2, pages 45-55.
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Articles from other publishers (10)

Harrie E. Buist, Lianne de Wit-Bos, Tialda Bouwman & Wouter H.J. Vaes. (2012) Predicting blood:air partition coefficients using basic physicochemical properties. Regulatory Toxicology and Pharmacology 62:1, pages 23-28.
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Subhash C. Basak, Denise Mills & Douglas M. Hawkins. (2011) Characterization of Dihydrofolate Reductases from Multiple Strains of Plasmodium falciparum Using Mathematical Descriptors of Their Inhibitors . Chemistry & Biodiversity 8:3, pages 440-453.
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Subhash C. Basak & D. Mills. (2010) Quantitative structure-activity relationship studies of boron-containing dipeptide proteasome inhibitors using calculated mathematical descriptors. Journal of Mathematical Chemistry 49:1, pages 185-200.
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Ovanes MekenyanJ. C. Madden. 2010. In Silico Toxicology. In Silico Toxicology 531 557 .
Judith C. Madden. 2010. Recent Advances in QSAR Studies. Recent Advances in QSAR Studies 283 304 .
Marek Jakubowski & Sławomir Czerczak. (2009) Calculating the retention of volatile organic compounds in the lung on the basis of their physicochemical properties. Environmental Toxicology and Pharmacology 28:2, pages 311-315.
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Subhash C. Basak, Denise Mills, Douglas M. Hawkins & Jessica J. Kraker. (2009) Quantitative Structure–Activity Relationship (QSAR) Modeling of Human Blood : Air Partitioning with Proper Statistical Methods and Validation. Chemistry & Biodiversity 6:4, pages 487-502.
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Subhash Basak, Denise Mills, Ramanathan Natarajan & Brian Gute. 2009. Chemical Reactivity Theory. Chemical Reactivity Theory.
Kannan Krishnan & Thomas Peyret. 2009. Ecotoxicology Modeling. Ecotoxicology Modeling 145 175 .
Subhash C. Basak, Denise Mills & Douglas M. Hawkins. (2008) Predicting allergic contact dermatitis: a hierarchical structure–activity relationship (SAR) approach to chemical classification using topological and quantum chemical descriptors. Journal of Computer-Aided Molecular Design 22:6-7, pages 339-343.
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