Classifying environmental pollutants: Part 3. External validation of the classification system

Chemosphere

Volumn 40, Issue 8, 2000, Pages 875-883

  Verhaar, Henk J M ^a   Solbé, John ^b   Speksnijder, John ^b   Van Leeuwen, Cees J ^c   Hermens, Joop L M ^c  

^a OpdenKamp   (Netherlands)

^b UTRECHT UNIVERSITY   (Netherlands)

^c European Centre for Ecotoxicology and Toxicology of Chemicals   (Belgium)

Author keywords

Classification of chemicals; Excess toxicity; QSAR

Indexed keywords

CLASSIFICATION; ENVIRONMENTAL PROTECTION; POLLUTANT;

ARTICLE; ECOTOXICITY; ECOTOXICOLOGY; POLLUTANT; POLLUTION; TOXICITY TESTING; VALIDATION PROCESS;

ANIMALS; DATABASES, FACTUAL; FISHES; LETHAL DOSE 50; PREDICTIVE VALUE OF TESTS; QUALITY CONTROL; REFERENCE VALUES; RISK ASSESSMENT; STRUCTURE-ACTIVITY RELATIONSHIP; TOXICITY TESTS; WATER POLLUTANTS, CHEMICAL;

EID: 0033951115     PISSN: 00456535     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0045-6535(99)00317-3     Document Type: Article

References (29)

1. Ariens, E.J., 1986. Receptors: a tool in drug development. In: Harms, A.F., (Ed.), Innovative Approaches in Drug Research, Elsevier, Amsterdam, pp. 9-22.
2. Bradbury S.P., Lipnick R.L. Introduction: Structural properties for determining mechanisms of toxic action. Environ. Health Persp. 87:1990;181-182.
3. Bradbury, S.P., Henry, T.R., Carlson, R.W., 1990. Fish acute toxicity syndromes in the development of mechanism specific QSARs. In: Karcher, W., Devillers, J. (Eds.), Practical Applications of Quantitative Structure-activity Relationships (QSAR) in Environmental Chemistry and Toxicology, Kluwer Academic Publishers, Dordrecht, pp. 295-315.
4. Calamari D., Vighi M. Experiences on QSARs and evaluative models in ecotoxicology. Chemosphere. 17:1988;1539-1549.
5. Calamari, D., Vighi, M., 1990. Quantitative Structure Activity Relationships in Ecotoxicology: Value and Limitations, Institute of Agricultural Entomology, University of Milan, Via Celoria 2, 20133 Milano, Italy.
6. Call D.J., Brooke L.T., Knuth M.L., Poirier S.H., Hoglund M.D. Fish subchronic toxicity prediction model for industrial organic chemicals that produce narcosis. Environ. Toxicol. Chem. 4:1988;335-341.
7. ECETOC, 1993. Aquatic toxicity data evaluation task force, Technical Report no. 99, ECETOC, Brussels.
8. Feijtel T., Kloepper-Sams P., den Haan K., van Egmond R., Comber M., Heusel R., Wierich P., ten Berge W., Gard A., de Wolf W., Niessen H. Integration of bioaccumulation in an environmental risk assessment. Chemosphere. 34:1997;2337-2350.
9. Hermens, J.L.M., 1989. Quantitative structure-activity relationships of environmental pollutants. In: Hutzinger, O. (Ed.), Handbook of Environmental Chemistry. Springer, Berlin, pp. 111-162.
10. Hermens J.L.M. Electrophiles and acute toxicity to fish. Environ. Health Perspect. 87:1990;219-225.
11. Hunter, R.S., Culver, F.D., Hill, J.R., Fitz Gerald, A., 1986. QSAR system user manual. EPA-ERL, Duluth, Minnesota and Montana State University, Bozeman, Montana.
12. Könemann W.H. Quantitative structure-activity relationship in fish toxicity studis, Part 1. Relationshilp for 50 industrial pollutants. Toxicology. 19:1981;209-282.
13. Lipnick, R.L., 1989. Base-line toxicity predicted by quantitative structure-activity relationships as a probe for molecular mechanism of toxicity. In: Magee, P.S., Henry, D.R., Block, J.H. (Eds.), Probing Bioactive Mechanisms, American Chemical Society, Washington DC, pp. 366-389.
14. Lipnick R.L. Outliers: their origin and use in the clasification of molecular mechanisms of toxicity. Sci. Total Environ. 109/110:1991;131-153.
15. Leo, D., Weininger, D., 1989. MedChem Software Manual.
16. Leo A.J. Hydrophobic parameter - measurement and calculation. Molecular Design and Modeling: Concepts and Applications, Part A. 202:1991;544-591.
17. Maki, A.W., Bishop, W.E., 1985. Chemical safety evaluation. In: Rand, G.M., Petrocelli, S.R. (Eds.), Fundamentals of Aquatic Toxicology. Hemisphere, Washington DC, pp. 619-635.
18. McKim J.M., Bradbury S.P., Niemi G.J. Fish acute toxicity syndormes and their use in the QSAR approach to hazard assessment. Environ. Health Perspect. 71:1987;171-186.
19. OECD, 1992. Bioconcentration: flow-through fish test, Draft Guideline 305, OECD, Paris, France.
20. Opperhuizen A., Velde E.W., Gobas F.A.P.C., Lem D.A., Steen J.M., Hutzinger O. Relationship between bioconcentration in fish and steric factors of hydrophobic chemicals. Chemosphere. 14:1985;1871-1896.
21. Schultz T.W., Holcombe G.W., Phipps G.L. Relationships of quantitative structure-activity to comparative toxicity of selected phenols in the Pimephales promelas and Tetrahymena pyriformis test systems. Ecotoxicol. Environ. Safety. 12:1986;146-153.
22. Veith G.D., Call D.J., Brooke L.T. Structure-toxicity relationships for the fathead minnow, Pimephales promelas: Narcotic industrial chemicals. Can. J. Fish. Aquat. Sci. 40:1983;743-748.
23. Veith G.D., Broderius S.J. Rules for distinguishing toxicants that cause type I and type II narcosis syndromes. Environ. Health Perspect. 87:1990;207-211.
24. Verhaar, H.J.M., 1995. Predictive methods in aquatic toxicology. Ph.D. Thesis, Utrecht University.
25. Verhaar H.J.M., van Leeuwen C.J., Hermens J.L.M. Classifying environmental pollutants 1: Structure-activity relationships for prediction of aquatic toxicity. Chemosphere. 25:1992;471-491.
26. van Leeuwen C.J., van der Zandt P.T.J., Aldenberg T., Verhaar H.J.M., Hermens J.L.M. Application of QSARs, extrapolation and equilibrium partitioning in aquatic effects assessment. I. Pollutants that act by narcosis. Environ. Toxicol. Chem. 11:1992;267-282.
27. Verhaar, H.J.M., Mulder, W., Hermens, J.L.M., 1995. QSAR for ecotoxicity. In: Overview of Structure-activity Relationships for Environmental Endpoints, Edited by European Commission, Brussels.
28. Verhaar H.J.M., Legierse K.C.H.M., de Wolf W., Dyer S., Seinen W., Hermens J.L.M. An LC50 vs time model for receptor-mediated aquatic toxicity; consequences for bionconcentration kinetics and risk assessment. Environ. Sci. Technol. 33:1999;758-763.
29. Veith, G.D., Broderius, S.J., 1987. Structure-toxicity relationships for industrial chemicals causing type (II) narcosis syndrome. In: K.L.E. Kaiser (Ed.), QSAR in Environmental Toxicology - II, D. Reidel Publishing Company, Dordrecht, The Netherlands, p. 385-391.