Discriminating toxicant classes by mode of action: 3. Substructure indicators

SAR and QSAR in Environmental Research

Volumn 18, Issue 1-2, 2007, Pages 155-168

  Nendza, M ^a   Muller M ^b  

^a Analytisches Laboratorium   (Germany)

^b FRAUNHOFER INSTITUTE FOR MOLECULAR BIOLOGY AND APPLIED ECOLOGY IME   (Germany)

Author keywords

Applicability domain; Baseline toxicity; Classification schemes; Excess toxicity; Mode of action; QSAR

Indexed keywords

CLASSIFICATION (OF INFORMATION); COMPUTATIONAL CHEMISTRY; DECISION SUPPORT SYSTEMS; INDICATORS (CHEMICAL);

APPLICABILITY DOMAIN; BASELINE TOXICITY; BIOLOGICAL DOMAIN; CHEMICAL DOMAIN; CLASSIFICATION SCHEME; DECISION SUPPORTS; EXCESS TOXICITY; MODE OF ACTION; QSAR; STEPWISE PROCEDURE;

TOXICITY;

EID: 33847008768     PISSN: 1062936X     EISSN: 1029046X     Source Type: Journal    
DOI: 10.1080/10629360601054354     Document Type: Article

References (25)

1. M.T.D. Cronin, J.D. Walker, J.S. Jaworska, M.H.I. Comber, C.D. Watts, A.P. Worth. Environ. Health Persp., 111, 1376 (2003).
2. M.T.D. Cronin, J.S. Jaworska, J.D. Walker, M.H.I. Comber, C.D. Watts, A.P. Worth. Environ. Health Persp., 111, 1391 (2003).
3. M.T.D. Cronin, D.J. Livingstone (Eds). Predicting Chemical Toxicity and Fate, CRC Press, Boca Raton, FL (2004).
4. European Communities, Technical guidance document on risk assessment in support of Commission Directive 93/67/EEC on risk assessment for new notified substances, Commission Regulation (EC) No. 1488/94 on risk assessment for existing substances, Directive 98/8/EC of the European Parliament and of the Council concerning the placing of biocidal products on the market. European Commission, Joint Research Centre, Ispra, Italy (2003).
5. M. Nendza. Structure-Activity Relationships in Environmental Sciences, Chapman & Hall, London (1998).
6. M. Nendza, A. Wenzel. Environ. Sci. Pollut. Res., 13, 192 (2006).
7. S.J. Broderius, M. Kahl, M. Hoglund. Environ. Toxicol. Chem., 14, 1591 (1995).
8. H. Jäckel, M. Nendza. Aquat. Toxicol., 29, 305 (1994).
9. J.M. McKim, S.P. Bradbury, G.J. Niemi. Environ. Health Persp., 71, 171 (1987).
10. C.L. Russom, S.P. Bradbury, S.J. Broderius, D.E. Hammermeister, R.A. Drummond. Environ. Toxicol. Chem., 16, 948 (1997).
11. H.J.M. Verhaar, C.J. van Leeuwen, J.L.M. Hermens. Chemosphere, 25, 471 (1992).
12. P.C. von der Ohe, R. Kühne, R.U. Ebert, R. Altenburger, M. Liess, G. Schüürmann. Chem. Res. Toxicol., 18, 536 (2005).
13. H.J.M. Verhaar, J. Solbé, J. Speksnijder, C.J. van Leeuwen, J.L.M. Hermens. Chemosphere, 40, 875 (2000).
14. S.C. Basak, G.D. Grunwald, G.E. Host, G.J. Niemi, S.P. Bradbury. Environ. Toxicol. Chem., 17, 1056 (1998).
15. A.O. Aptula, T.I. Netzeva, I.V. Valkova, M.T.D. Cronin, T.W. Schultz, R. Kühne, G. Schüürmann. Quant. Struct.-Act. Relat., 21, 12 (2002).
16. A.B. A. Boxall, C.D. Watts, J.C. Dearden, G.M. Bresnen, R. Scoffin. In Quantitative Structure-Activity Relationships in Environmental Sciences-VII, F. Chen, G. Schüürmann (Eds), pp. 263-275, SETAC Press, Pensacola, FL (1997).
17. M. Nendza, M. Müller. Quant. Struct.-Act. Relat., 19, 581 (2000).
18. S. Spycher, M. Nendza, J. Gasteiger. Quant. Struct.-Act. Relat., 23, 779 (2004).
19. European Commission, Proposal for a Regulation of the European Parliament and of the Council Concerning the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH), Establishing a European Chemicals Agency and Amending Directive 1999/45/EC and Regulation (EC) No. 850/2004 on Persistent Organic Pollutants. Brussels, Belgium (2005).
20. US EPA, EPI Suite v 3.12. http://www.epa.gov/opptintr/exposure/docs/ episuite.htm, US Environmental Protection Agency, Washington, DC (2005).
21. M. Nendza, C.L. Russom. Xenobiotica, 21, 147 (1991).
22. D. de Roode, C. Hoekzema, S. de Vries-Buitenweg, B. van de Waart, J. van der Hoeven, Regul. Toxicol. Pharmacol. DOI:10.1016/yrtph.2006.01.012 (2006).
23. S. Dimitrov, G. Dimitrova, T. Pavlov, N. Dimitrova, G.Y. Patlewicz, J. Niemela, O.G. Mekenyan. J. Chem. Inf. Model., 45, 839 (2005).
24. J.S. Jaworska, N. Nikolova-Jeliazkova, T. Aldenberg. ATLA, 33, 445 (2005).
25. T.I. Netzeva, A.P. Worth, T. Aldenberg, R. Benigni, M.T.D. Cronin, P. Gramatica, J.S. Jaworska, S. Kahn, G. Klopman, C.A. Marchant, G. Myatt, N. Nikolova-Jeliazkova, G.Y. Patlewicz, R. Perkins, D.W. Roberts, T.W. Schultz, D.T. Stanton, J.J.M. van de Sandt, W. Tong, G.D. Veith, C. Yang. ATLA, 33, 155 (2005).