Development of (Q)SARs for dermal irritation and corrosion assessment using european union new chemicals notification data

Dermal Absorption and Toxicity Assessment, Second Edition

Volumn , Issue , 2007, Pages 507-522

  Gerner, Ingrid ^a   Hulzebos, Etje ^b   Rorije, Emiel ^b   Herzler, Matthias ^c   Liebsch, Manfred ^c   Walker, John D ^d   Spielmann, Horst ^c  

^a Expertise Centre for Substances ^*  (Germany)

^b NATIONAL INSTITUTE FOR PUBLIC HEALTH AND THE ENVIRONMENT   (Netherlands)

^c FEDERAL INSTITUTE FOR RISK ASSESSMENT   (Germany)

^d U S ENVIRONMENTAL PROTECTION AGENCY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 67349186521     PISSN: None     EISSN: None     Source Type: Book    
DOI: None     Document Type: Chapter

References (26)

1. European Commission. White Paper on a Strategy for a Future Chemicals Policy. Brussels:Commission of the European Communities, 2003. (Accessed May 2006 at http://europa.eu. int/comm/environment/chemicals/whitepaper.htm)
2. Worth AP, Bassan A, Gallegos A, et al. The characterisation of (quantitative) structure-activity relationships: Preliminary guidance. ECB report, 2005. (Accessed August 2006 at http://ecb.jrc.it/QSAR/home.php?CONTENUZ/QSAR/qsar_tools/sommaire.php)
3. Walker JD, Gerner I, Hulzebos ET, et al. The skin irritation corrosion rules estimation tool (SICRET). QSAR Comb Sci 2005; 24:378-84.
4. OECD. Guideline for Testing of Chemicals No. 404, Acute Dermal Irritation/Corrosion, OECD, Paris, 2002:1-13.
5. Gerner I, Walker JD, Hulzebos ET, et al. Use of physicochemical property limits to develop rules for identifying chemical substances with no skin irritation or corrosion potential. QSAR Comb Sci 2004; 23:726-33.
6. Hulzebos ET, Walker JD, Gerner I, et al. Use of structural alerts to develop rules for identifying chemical substances with skin irritation or skin corrosion potential. QSAR Comb Sci 2005; 24:332-42.
7. Gerner I, Zinke S, Graetschel G, et al. Development of a decision support system for the introduction of alternative methods into local irritancy/corrosivity testing strategies. Creation of fundamental rules for a decision support system. ATLA 2000; 28:665-98.
8. Rorije E, Hulzebos E. Evaluation of (Q)SARs for the prediction of skin irritation/corrosion potential. Physico-chemical exclusion rules. (Accessed September 2006 at http://ecb.jrc.it/QSAR/Documents/QSAR/EvaluationofSkinIrritationQSARs)
9. Rorije E, Herzler M, Hulzebos E, et al. Evaluation of structural alerts for skin irritation or corrosion-alerts for unspecific reactivity (in preparation).
10. European Commission. Commission Directive 2004/73/EC of 29 April 2004 adapting to technical progress for the twenty-ninth time Council Directive 67/548/EEC on the approximation of the laws, regulations and administrative provisions relating to the classification, packaging and labelling of dangerous substances. Official J Eur Union 2004; L152:1-311.
11. Gerner I, Graetschel G, Kahl J, et al. Development of a decision support system for the introduction of alternative methods into local irritation/corrosion testing strategies:development of a relational data base. ATLA 2000; 28:11-28.
12. European Commission. Annex VI of the Directive 67/548/EEC. General classification and labelling requirements for dangerous substances and preparations. Official Journal of the European Communities, L225, 2001:263-314
13. Roberts MS, Walters KA. The relationship between structure and barrier function of skin. In:Roberts MS, Walters KA, eds. Dermal Absorption and Toxicity Assessment. New York: Marcel Dekker, 1998;1-42.
14. Staab HA. Kohaesionseigenschaften. In:Staab HA, ed. Einfuehrung in Die Theoretische Organische Chemie. Germany: Verlag Chemie Weinheim, 1960;655-66.
15. Potts RO, Guy RH. Predicting skin permeability. Pharm Res 1992; 9:663-9.
16. Jackson JA, Diliberto JJ, Birnbaum LS. Estimation of octanol-water partition coefficients and correlation with dermal absorption for several polyhalogenated aromatic hydrocarbons. Fundam Appl Toxicol 1993; 21:334-44.
17. European Commission. Technical guidance document on risk assessment in support of Commission Directive 93/67/EEC on risk assessment for new notified substances and Commission Regulation (EC) No 1488/94 on risk assessment for existing substances and Directive 98/8/EC of the European Parliament and of the Council concerning the placing of biocidal products on the market, 2003:214.
18. Barratt M. Appendix A: Quantitative Structure activity relationships for skin corrosivit. In: Botham PA, Chamberlain M, Barratt MD, et al. A prevalidation study on in vitro skin corrosivity testing. The report and recommendation of ECVAM Workshop 6, ATLA 1995; 23:219-255.
19. OECD. Harmonised system for the classification of chemicals which cause skin irritation/corrosion. In: OECD, Harmonised Integrated Classification System for Human Health and Environmental Hazards of Chemical Substances and Mixtures. ENV/JM/MONO(2001)6, OECD, Paris, 2001:25-30.
20. United Nations. Globally Harmonized System of classification and labelling of chemicals, UN ST/SG/AC.10/30, United Nations Publications sales no. E.03.II.E.25. United Nations, New York/Geneva, 2003.
21. Walker JD. Chemical selection by the Interagency Testing Committee: use of computerized substructure searching to identify chemical groups for health effects, chemical fate and ecological effects testing. Sci Total Environ 1991; 109/110:691-700.
22. Aptula AO, Roberts DW. Mechanistic applicability domains for nonanimal-based prediction of toxicological end points: general principles and application to reactive toxicity. Chem Res Toxicol 2006; 19:1097-105.
23. Hulzebos EM, Maslankiewicz L, Walker JD. Verification of literature-derived SARs for skin irritancy by EU new chemicals. QSAR Comb Sci 2003; 22:351-63.
24. Walker JD, Gerner I, Hulzebos E, et al. (Q)SARs for predicting skin irritation and corrosion:mechanisms, transparency and applicability of predictions. QSAR Comb Sci 2004; 23:721-5.
25. European Commission. Annex I to EU Directive 67/548/EEC. List of dangerous substances. Latest update by ATP:29, Official Journal of the European Communities L152, 30/04/2004.
26. Verhaar HJM, vanLeeuwen CJ, Hermens JLM. Classifying environmental pollutants. Structure-activity relationships for predicting aquatic toxicity. Chemosphere 1995; 25:471-91.