A spreadsheet program for modeling quantitative structure-pharmacokinetic relationships for inhaled volatile organics in humans

SAR and QSAR in Environmental Research

Volumn 16, Issue 1-2, 2005, Pages 63-77

  Beliveau M ^a   Krishnan, K ^a,b  

^a UNIVERSITÉ DE MONTRÉAL   (Canada)

^b UNIVERSITY OF MONTREAL   (Canada)

Author keywords

Internal dose; PBPK models; Pharmacokinetics; QSAR; Structure; VOCs

Indexed keywords

BENZENE; BLOOD; CHLORINE; CYCLOADDITION; DICHLOROMETHANE; HISTOLOGY; ORGANIC CHEMICALS; PHARMACOKINETICS; PHYSIOLOGICAL MODELS; TISSUE ENGINEERING; VOLATILE ORGANIC COMPOUNDS;

EXCEL SPREADSHEETS; INTERNAL DOSE; PARTITION COEFFICIENT; PHYSIOLOGICALLY BASED PHARMACOKINETIC MODELS; QSAR; QUANTITATIVE STRUCTURE PROPERTY RELATIONSHIPS; QUANTITATIVE STRUCTURES; SPREADSHEET PROGRAM; VOLATILE ORGANIC CHEMICALS; VOLATILE ORGANICS;

TISSUE;

EID: 18244382840     PISSN: 1062936X     EISSN: 1029046X     Source Type: Journal    
DOI: 10.1080/10629360412331319880     Document Type: Conference Paper

References (22)

1. Beliveau, M. and Krishnan, K. (2003) "In silico approaches for physiologically based pharmacokinetic modeling", In: Salem, H. and Katz, S.A., eds, Alternative Toxicological Methods (CRC Press LLC, Boca Raton), pp 479-532.
2. Haddad, S., Pelekis, M. and Krishnan, K. (1996) "A methodology for solving physiologically based pharmacokinetic models without the use of simulation softwares", Toxicol. Lett. 85, 113-126.
3. Krishnan, K. and Andersen, M.E. (2001) "Physiologically based pharmacokinetic modeling in toxicology", In: Hayes, A.W., ed., Principles and Methods of Toxicology (Taylor & Francis, Philadelphia), pp 193-241.
4. Beliveau, M., Tardif, R. and Krishnan, K. (2003) "Quantitative structure-property relationships for physiologically based pharmacokinetic modeling of volatile organic chemicals in rats", Toxicol. Appl. Pharmacol. 189, 221-232.
5. Gargas, M.L., Burgess, R.J., Voisard, D.E., Cason, G.H. and Andersen, M.E. (1989) "Partition coefficients of low-molecular-weight volatile chemicals in various liquids and tissues", Toxicol. Appl. Pharmacol. 98, 87-99.
6. Gargas, M.L., Seybold, P.G. and Andersen, M.E. (1988) "Modeling the tissue solubilities and metabolic rate constant (Vmax) of halogenated methanes, ethanes, and ethylenes", Toxicol. Lett. 43, 235-256.
7. Haddad, S., Charest-Tardif, G., Tardif, R. and Krishnan, K. (2000) "Validation of a physiological modeling framework for simulating the toxicokinetics of chemicals in mixtures", Toxicol. Appl. Pharmacol. 167, 199-209.
8. Poulin, P. and Krishnan, K. (1999) "Molecular structure-based prediction of the toxicokinetics of inhaled vapors in humans", Int. J. Toxicol. 18, 7-18.
9. Tardif, R., Charest-Tardif, G., Brodeur, J. and Krishnan, K. (1997) "Physiologically based pharmacokinetic modeling of a ternary mixture of alkyl benzenes in rats and humans", Toxicol. Appl. Pharmacol. 144, 120-134.
10. Wold, S. (1991) "Validation of QSAR's", QSAR 10, 191-193.
11. Andersen, M.E., Clewell, H.J.I, and Gargas, M.L. (1991) "Physiologically-based pharmacokinetic modeling with dichloromethane, its metabolite carbon monoxide and blood carboxyhemoglobin in rats and humans", Toxicol. Appl. Pharmacol. 108, 14-27.
12. Ward, R.C., Travis, C.C., Hetrick, D.M., Andersen, M.E. and Gargas, M.L. (1988) "Pharmacokinetics of tetrachloroethylene", Toxicol. Appl. Pharmacol. 93, 108-117.
13. Reitz, R.H., Mandrela, A.L., Corley, R.A., Quast, J.F., Gargas, M.L., Andersen, M.E., Staats, D.A. and Conolly, R.B. (1990) "Estimating the risk of liver cancer associated with human exposures to chloroform using physiologically-based pharmacokinetic modeling", Toxicol. Appl. Pharmacol. 105, 443-459.
14. Tardif, R., Lapare, S., Charest-Tardif, G., Brodeur, J. and Krishnan, K. (1995) "Physiologically-based pharmacokinetic modeling of a mixture of toluene and xylene in humans", Risk Anal. 15, 335-342.
15. Ramsey, J.C. and Andersen, M.E. (1984) "A physiologically-based description of the inhalation pharmacokinetics of styrene in rats and humans", Toxicol. Appl. Pharmacol. 73, 159-175.
16. Paustenbach, D., Andersen, M.E., Clewell, H.J. and Gargas, M.L. (1988) "A physiologically-based pharmacokinetic model for inhaled carbon tetrachloride in the rat", Toxicol. Appl. Pharmacol. 96, 191-211.
17. Tardif, R., Lapare, S., Krishnan, K. and Brodeur, J. (1993) "Physiologically based modeling of the toxicokinetic interaction between toluene and m-xylene in the rat", Toxicol. Appl. Pharmacol. 120, 266-273.
18. Reitz, R.H., Gargas, M.L., Andersen, M.E., Provan, W.M. and Green, T.L. (1996) "Predicting cancer risk from vinyl chloride exposure with a physiologically based pharmacokinetic model", Toxicol. Appl. Pharmacol. 137, 253-267.
19. Allen, B.C. and Fisher, J.W. (1993) "Pharmacokinetic modeling of trichloroethylene and trichloroacetic acid in humans", Risk Anal. 13, 71-86.
20. Fisher, J.W., Gargas, M.L., Jepson, G.W., Allen, B. and Andersen, M.E. (1991) "Physiologically-based pharmacokinetic modeling with trichloroethylene and its metabolite, trichloroacetic acid in the rat and mouse", Toxicol. Appl. Pharmacol, 109, 183-195.
21. Reitz, R.H., Gargas, M.L., Mendrala, A.L. and Schumann, A.M. (1996) "In vivo and in vitro studies of perchloroethylene metabolism for physiologically based pharmacokinetic modeling in rats, mice, and humans", Toxicol. Appl. Pharmacol. 136, 289-306.
22. Andersen, M.E., Clewell, H.J.I., Gargas, M.L., Smith, F.A. and Reitz, R.H. (1987) "Physiologically-based pharmacokinetics and risk assessment process for methylene chloride", Toxicol. Appl. Pharmacol. 87, 185-205.