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Original Articles

COMPARISON OF MODELS FOR THE ESTIMATION OF BIOLOGICAL PARTITION COEFFICIENTS

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Pages 897-931 | Published online: 07 Jan 2011

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Elena Domínguez-Romero & Martin Scheringer. (2019) A review of phthalate pharmacokinetics in human and rat: what factors drive phthalate distribution and partitioning?. Drug Metabolism Reviews 51:3, pages 314-329.
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Peng Zou, Nan Zheng, Yongsheng Yang, Lawrence X Yu & Duxin Sun. (2012) Prediction of volume of distribution at steady state in humans: comparison of different approaches. Expert Opinion on Drug Metabolism & Toxicology 8:7, pages 855-872.
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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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G. Joshi, R. T. Tremblay, S. A. Martin & J. W. Fisher. (2010) Partition coefficients for nonane and its isomers in the rat. Toxicology Mechanisms and Methods 20:9, pages 594-599.
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Stefan S De Buck & Claire E Mackie. (2007) Physiologically based approaches towards the prediction of pharmacokinetics: in vitro–in vivo extrapolation. Expert Opinion on Drug Metabolism & Toxicology 3:6, pages 865-878.
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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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DeirdreA. Mahle, JefferyM. Gearhart, ClaudeC. Grigsby, DavidR. Mattie, HughA. Barton, JohnC. Lipscomb & RobertS. Cook. (2007) Age-Dependent Partition Coefficients for a Mixture of Volatile Organic Solvents in Sprague-Dawley Rats and Humans. Journal of Toxicology and Environmental Health, Part A 70:20, pages 1745-1751.
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Ivan Nestorov. (2007) Whole-body physiologically based pharmacokinetic models. Expert Opinion on Drug Metabolism & Toxicology 3:2, pages 235-249.
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TeresaR. Sterner, CharlesD. Goodyear, PeterJ. Robinson, DavidR. Mattie & G. Allen Burton. (2006) Analysis of Algorithms Predicting Blood:Air and Tissue:Blood Partition Coefficients from Solvent Partition Coefficients for Prevalent Components of JP-8 Jet Fuel. Journal of Toxicology and Environmental Health, Part A 69:15, pages 1441-1479.
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Cécil Meulenberg, Anna Wijnker & Henk Vijverberg. (2003) Relationship between Olive Oil:Air, Saline:Air, and Rat Brain:Air Partition Coefficients of Organic Solvents In Vitro. Journal of Toxicology and Environmental Health, Part A 66:20, pages 1985-1998.
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Jeremy A. Leonard & Yu-Mei Tan. (2019) Tiered approaches for screening and prioritizing chemicals through integration of pharmacokinetics and exposure information with in vitro dose-response data. Computational Toxicology 12, pages 100101.
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Tanzir Mortuza, Srinivasa Muralidhara, Catherine A. White, Brian S. Cummings, Carey Hines & James V. Bruckner. (2018) Effect of dose and exposure protocol on the toxicokinetics and first-pass elimination of trichloroethylene and 1,1,1-trichloroethane. Toxicology and Applied Pharmacology 360, pages 185-192.
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Dimosthenis A. Sarigiannis, Spyros P. Karakitsios, Evangelos Handakas, Krystalia Papadaki, Dimitris Chapizanis & Alberto Gotti. 2018. Applying Big Data Analytics in Bioinformatics and Medicine. Applying Big Data Analytics in Bioinformatics and Medicine 115 144 .
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K.C. Papadaki, S.P. Karakitsios & D.A. Sarigiannis. (2017) Modeling of adipose/blood partition coefficient for environmental chemicals. Food and Chemical Toxicology 110, pages 274-285.
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Robert G. Pearce, R. Woodrow Setzer, Jimena L. Davis & John F. Wambaugh. (2017) Evaluation and calibration of high-throughput predictions of chemical distribution to tissues. Journal of Pharmacokinetics and Pharmacodynamics 44:6, pages 549-565.
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Manoj Amaraneni, Jing Pang, James V. Bruckner, Srinivasa Muralidhara, Tanzir B. Mortuza, Darren Gullick, Shirin Hooshfar, Catherine A. White & Brian S. Cummings. (2017) Influence of Maturation on In Vivo Tissue to Plasma Partition Coefficients for Cis - and Trans -Permethrin. Journal of Pharmaceutical Sciences 106:8, pages 2144-2151.
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Dimosthenis Α. Sarigiannis, Krystalia Papadaki, Periklis Kontoroupis & Spyros P. Karakitsios. (2017) Development of QSARs for parameterizing Physiology Based ToxicoKinetic models. Food and Chemical Toxicology 106, pages 114-124.
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Patrick Poulin. 2016. Drug Discovery Toxicology. Drug Discovery Toxicology 67 81 .
Robert Hoke, Duane Huggett, Sandra Brasfield, Becky Brown, Michelle Embry, Anne Fairbrother, Michelle Kivi, Miriam Leon Paumen, Ryan Prosser, Dan Salvito & Rick Scroggins. (2015) Review of laboratory‐based terrestrial bioaccumulation assessment approaches for organic chemicals: Current status and future possibilities. Integrated Environmental Assessment and Management 12:1, pages 109-122.
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Brad Reisfeld & Jaime H. Ivy. 2014. Trichloroethylene: Toxicity and Health Risks. Trichloroethylene: Toxicity and Health Risks 209 237 .
James B. Knaak, Curtis C. Dary, Xiaofei Zhang, Robert W. Gerlach, R. Tornero-Velez, Daniel T. Chang, Rocky Goldsmith & Jerry N. Blancato. 2012. Reviews of Environmental Contamination and Toxicology. Reviews of Environmental Contamination and Toxicology 1 114 .
Ivonne M. C. M. Rietjens, Jochem Louisse & Ans Punt. (2011) Tutorial on physiologically based kinetic modeling in molecular nutrition and food research. Molecular Nutrition & Food Research 55:6, pages 941-956.
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Thomas Peyret, Patrick Poulin & Kannan Krishnan. (2010) A unified algorithm for predicting partition coefficients for PBPK modeling of drugs and environmental chemicals. Toxicology and Applied Pharmacology 249:3, pages 197-207.
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Daniel M. Rotroff, Barbara A. Wetmore, David J. Dix, Stephen S. Ferguson, Harvey J. Clewell, Keith A. Houck, Edward L. LeCluyse, Melvin E. Andersen, Richard S. Judson, Cornelia M. Smith, Mark A. Sochaski, Robert J. Kavlock, Frank Boellmann, Matthew T. Martin, David M. Reif, John F. Wambaugh & Russell S. Thomas. (2010) Incorporating Human Dosimetry and Exposure into High-Throughput In Vitro Toxicity Screening . Toxicological Sciences 117:2, pages 348-358.
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Ivonne M. C. M. Rietjens, Ans Punt, Benoît Schilter, Gabriele Scholz, Thierry Delatour & Peter J. van Bladeren. (2010) In silico methods for physiologically based biokinetic models describing bioactivation and detoxification of coumarin and estragole: Implications for risk assessment . Molecular Nutrition & Food Research 54:2, pages 195-207.
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Kannan Krishnan & Thomas Peyret. 2009. Ecotoxicology Modeling. Ecotoxicology Modeling 145 175 .
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Kai H. Liao, Yu-Mei Tan & Harvey J. ClewellIIIIII. (2007) Development of a Screening Approach to Interpret Human Biomonitoring Data on Volatile Organic Compounds: Reverse Dosimetry on Biomonitoring Data for Trichloroethylene. Risk Analysis 27:5, pages 1223-1236.
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Weihsueh A. Chiu, Hugh A. Barton, Robert S. DeWoskin, Paul Schlosser, Chad M. Thompson, Babasaheb Sonawane, John C. Lipscomb & Kannan Krishnan. (2007) Evaluation of physiologically based pharmacokinetic models for use in risk assessment. Journal of Applied Toxicology 27:3, pages 218-237.
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Ferenc Hollósy, Klára Valkó, Anne Hersey, Shenaz Nunhuck, György Kéri & Chris Bevan. (2006) Estimation of Volume of Distribution in Humans from High Throughput HPLC-Based Measurements of Human Serum Albumin Binding and Immobilized Artificial Membrane Partitioning. Journal of Medicinal Chemistry 49:24, pages 6958-6971.
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Alan R. Katritzky, Minati Kuanar, Dan C. Fara, Mati Karelson, William E. AcreeJr.Jr., Vitaly P. Solov’ev & Alexandre Varnek. (2005) QSAR modeling of blood:air and tissue:air partition coefficients using theoretical descriptors. Bioorganic & Medicinal Chemistry 13:23, pages 6450-6463.
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A. Q. Smith, J. L. Campbell, D. A. Keys & J. W. Fisher. (2016) Rat Tissue and Blood Partition Coefficients for n-Alkanes (C 8 to C 12 ) . International Journal of Toxicology 24:1, pages 35-41.
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Leona H. Clark, R. Woodrow Setzer & Hugh A. Barton. (2004) Framework for Evaluation of Physiologically‐Based Pharmacokinetic Models for Use in Safety or Risk Assessment. Risk Analysis 24:6, pages 1697-1717.
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