The role of QSARS and fate models in chemical hazard and risk assessment: Paper prepared for Quantitative Structure-Activity Relationships (QSAR) Proceedings of the QSAR 2002 Conference, Ottawa May 2002

QSAR and Combinatorial Science

Volumn 22, Issue 1, 2003, Pages 106-112

  Mackay, Don ^a   Hubbarde, Jennifer ^a   Webster, Eva ^a  

^a TRENT UNIVERSITY   (Canada)

Author keywords

Hazard; Models; Persistence; Risk; Toxicity

Indexed keywords

CHEMICAL HAZARDS; COMPUTATIONAL CHEMISTRY; INDICATORS (CHEMICAL); RISK PERCEPTION; SUSTAINABLE DEVELOPMENT; TOXICITY;

ENVIRONMENTAL FATE; FATE MODEL; HAZARD AND RISK ASSESSMENTS; INTERNAL RISK; MULTI-STAGES; PERSISTENCE; PROPERTY; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; RISKS ASSESSMENTS; SCREENING LEVEL;

RISK ASSESSMENT;

CHEMICAL COMPOUND;

CALCULATION; CHEMICAL ANALYSIS; CHEMICAL HAZARD; CHEMICAL STRUCTURE; CONCENTRATION (PARAMETERS); CONFERENCE PAPER; ENVIRONMENT; HAZARD; MODEL; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REGULATORY MECHANISM; RISK ASSESSMENT; SCREENING; STRUCTURE ANALYSIS;

EID: 0038176177     PISSN: 1611020X     EISSN: None     Source Type: Journal    
DOI: 10.1002/qsar.200390000     Document Type: Article

References (23)

1. Jansson, B. Lipnick, R. L., Mackay, D. and Petreas, M. Identification of Persistent, Bioaccumulation and Toxic Substances. Chapter 1 p1 in Persistent, Bioaccumuation and Toxic Chemicals II. American Chemical Society Symposium Series 773, 2001, Washington, DC.
2. Mackay, D., Multimedia Environmental Models: The Fugacity Approach - Second Edition, Lewis Publishers, Boca Raton 2001, pp. 1-261.
3. Klecka, G., Boethling, B., Franklin, J., Grady, L., Graham, D., Howard, P. H., Kannan, K., Larson, R., Mackay, D., Muir, D., and van de Meent, D., (Eds.) Evaluation of Persistence and Long-range Transport of Organic Chemicals in the Environment, SETAC Press, Florida 2000, pp. 1-400.
4. Lipnick, R., Jansson, B., Mackay, D., and Petreas, M., (Eds.) American Chemical Society Symposium Series No. 773 Persistent, Bioaccumulative, and Toxic Chemicals, Volume II, ACS, Washington 2000, pp. 1-276.
5. Lipnick, R., Hermens, J. L. M., Jones K. C., Muir, D. C. G., (Eds.) American Chemical Society Symposium Series No. 773 Persistent, Bioaccumulative, and Toxic Chemicals, Volume I, ACS, Washington 2000, pp. 1-320.
6. Brandes, L. J., den Hollander, H., and van de Meent, D., SimpleBox 2.0: A Nested Multimedia Fate Model for Evaluating the Environmental Fate of Chemicals. RIVM Report No. 719101029 RIVM, National Institute of Public Health and the Environment, Bilthoven, The Netherlands, 1996.
7. Vermeire, T. G., Jager, D. T., Bussian, B., Devillers, J., den Haan, K., Hansen, B., Lundberg, I., Niessen, H., Robertson, S., Tyle, H., and van der Zandt, P. T. J., European Union System for the Evaluation of Substances (EUSES). Principles and Structure, Chemosphere 34, 1823-1836 (1997).
8. Cowan, C. E., Mackay, D., Feijtel, T. C. J., van de Meent, D., Di Guardo, A., Davies, J., and Mackay, N., The Multi-Media Fate Model: A Vital Tool for Predicting the Fate of Chemicals. Proceedings of a Workshop Organized by the Society of Environmental Toxicology and Chemistry, SETAC Press, Florida 1995, pp. 1-78.
9. Jarvinen, A. W., and Ankley, G. T., Linkage of Effects to Tissue Residues: Development of a Comprehensive Database for Aquatic Organisms Exposed to Inorganic and Organic Chemicals, SETAC Press, Florida 1999, pp. 1-364.
10. Gobas, F. A. P. C., Purdy, R., Granville, G., Cowan-Ellsbery, C., Gannon, J., Lewis, M., Socha, A., and Chapman, P. M., A Proposal for Hazard Identification of Organic Chemicals on Inherent Toxicity, SETAC Globe 2, 33-34 (2001).
11. McCarty, L. S., and Mackay, D., Enhancing Ecotoxicological Modeling and Assessment, Environ. Sci. Technol. 27, 1719-1727 (1993).
12. Sijm, D. T. H. M. and Hermens, J. L. M. Internal effect concentrations: link between bioaccumulation and ecotoxicity for organic chemicals. In: The Handbook of Environmental Chemistry. Editor: B. Beek, Volume 2-J, Bioaccumulation. New aspects and developments, pp 167-199 (1999).
13. Poulin, P., and Krishnan, K., Molecular Structure-Based Prediction of the Partition Coefficients of Organic Chemicals for Physiological Pharmacokinetic Models, Toxicol. Methods 6, 117-137 (1996).
14. Cole, J. G., and Mackay, D., Correlation of Environmental Partitioning Properties of Organic Compounds: The Three Solubilities Approach, Environ. Toxicol. Chem. 19, 265-270 (2000).
15. Beyer, A., Wania, F., Gouin, T., Mackay, D., and Matthies, M., Selecting Internally Consistent Physical-Chemical Properties of Organic Compounds, Evniron. Toxicol. Chem. 21, 941-953 (2002).
16. Cousins, I. T., and Mackay, D., Correlating the Physical Chemical Properties of Phthalate Esters using the "Three Solubilities Approach", Chemosphere 41, 1389-1399 (2000).
17. Gobas, F. A. P. C., A Model for Predicting the Bioaccumulation of Hydrophobic Organic Chemicals in Aquatic Food-Webs: Application to Lake Ontario, Ecological Modelling 69, 1-17 (1993).
18. Mackay, D., and Fraser, A., Bioaccumulation of Persistent Organic Chemicals: Mechanisms and Models, Environmental Pollution 110, 375-391 (2000).
19. Gouin T., Mackay D., Webster E., and Wania F., Screening Chemicals for Persistence in the Environment, Environ. Sci. Technol. 34, 881-884 (2000).
20. Webster E., Mackay, D., and Wania, F., Evaluating Environmental Persistence, Environ. Toxicol. Chem. 17, 2148-2158 (1998).
21. van Pul, W. A. J., de Leeuw, F. A. A. M., van Jaarsveld, J. A., van der Gaag, M. A., and Sliggers, C. J., The Potential for Long-Range Transboundary Atmospheric Transport, Chemosphere 37, 113-141 (1998).
22. Bennett, D. H., McKone, T. E., Matthies, M., and Kastenberg, W. E., General Formulation of Characteristic Travel Distance for Semivolatile Organic Chemicals in a Multimedia Environment, Environ. Sci. Technol. 32, 4023-4030 (1998).
23. Beyer, A., Mackay, D., Matthies, M., Wania, F., and Webster, E., Assessing Long-range Transport Potential of Persistent Organic Pollutants, Environ. Sci. Technol. 34, 699-703 (2000).