New perspectives in toxicological information management, and the role of ISSTOX databases in assessing chemical mutagenicity and carcinogenicity

Mutagenesis

Volumn 28, Issue 4, 2013, Pages 401-409

  Benigni, Romualdo ^a   Battistelli, Chiara Laura ^a   Bossa, Cecilia ^a   Tcheremenskaia, Olga ^a   Crettaz, Pierre ^b  

^a ISTITUTO SUPERIORE DI SANITÀ   (Italy)

^b FEDERAL OFFICE OF PUBLIC HEALTH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; BIOLOGICAL ACTIVITY; CARCINOGENICITY; CHEMICAL STRUCTURE; DATA BASE; HUMAN; INFORMATION SYSTEM; MUTAGENICITY; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RISK ASSESSMENT; TOXICOLOGY;

CARCINOGENICITY TESTS; CARCINOGENS; DATABASES, FACTUAL; HUMANS; INFORMATION MANAGEMENT; INTERNET; MUTAGENICITY TESTS; MUTAGENS; RISK ASSESSMENT;

EID: 84881644721     PISSN: 02678357     EISSN: 14643804     Source Type: Journal    
DOI: 10.1093/mutage/get016     Document Type: Article

References (35)

1. European Commission (2003) Proposal Concerning the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH). COM(2003)644Final.
2. OECD (2006) Report on the Regulatory Uses and Applications in OECD Member Countries of (Quantitative) Structure-Activity Relationship [(Q) SAR] Models in the Assessment of New and Existing Chemicals. No. 58. Organisation of Economic Cooperation and Development. OECD Series on Testing and Assessment, Paris.
3. Richard, A. M. (2006) Future of predictive toxicology: an expanded view of "chemical toxicity", future of toxicology perspective. Chem. Res. Toxicol., 19, 1257-1262.
4. Richard, A. M., Gold, L. S. and Nicklaus, M. C. (2006) Chemical structure indexing of toxicity data on the internet: moving toward a flat world. Curr. Opin. Drug Discov. Devel., 9, 314-325.
5. Hansch, C. and Leo, A. (1995) Exploring QSAR. 1. Fundamentals and Applications in Chemistry and Biology. American Chemical Society, Washington, D.C.
6. Hansch, C., Hoekman, D., Leo, A., Weininger, D. and Selassie, C. D. (2002) Chem-bioinformatics: comparative QSAR at the interface between chemistry and biology. Chem. Rev., 102, 783-812.
7. van Leeuwen, K., Schultz, T. W., Henry, T., Diderich, B. and Veith, G. D. (2009) Using chemical categories to fill data gaps in hazard assessment. SAR QSAR Environ. Res., 20, 207-220.
8. Jaworska, J. S., Comber, M.H.I., Auer, C.M. and Van Leeuwen, C. J. (2003) Summary of a workshop on regulatory acceptance of (Q)SARs for human health and environmental endpoints. Environ. Health Perspect., 111, 1358-1360.
9. Benigni, R. and Bossa, C. (2011) Mechanisms of chemical carcinogenicity and mutagenicity: a review with implications for predictive toxicology. Chem. Rev., 111, 2507-2536.
10. Valerio, L. G. (2009) In silico toxicology for the pharmaceutical sciences. Toxicol. Appl. Pharmacol., 241, 356-370.
11. OECD (2007) Approaches to data gap filling in chemical categories. Guidance on Grouping of Chemicals. Chapter 3. Vol. 80. OECD Series on Testing and Assessment, Paris, pp. 30-41.
12. Richard, A. M., Yang, C. and Judson, R. S. (2008) Toxicity data informatics: supporting a new paradigm for toxicity prediction. Toxicol. Mech. Methods, 18, 103-118.
13. Yang, C., Benz, R. D. and Cheeseman, M. A. (2006) Landscape of current toxicity databases and database standards. Curr. Opin. Drug Discov. Devel., 9, 124-133.
14. Yang, C., Richard, A. M., and Cross, K. P. (2006) The art of data mining the minefields of toxicity databases to link chemistry to biology. Curr. Comput.-Aid. Drug Des., 2, 135-150.
15. Benigni, R., Bossa, C., Richard, A. M. and Yang, C. (2008) A novel approach: chemical relational databases, and the role of the ISSCAN database on assessing chemical carcinogenicity. Ann. Ist. Super. Sanita, 44, 48-56.
16. Benigni, R., Bossa, C., Tcheremenskaia, O., Battistelli, C. L. and Crettaz, P. (2012) The new ISSMIC database on in vivo micronucleus and its role in assessing genotoxicity testing strategies. Mutagenesis, 27, 87-92.
17. Zeiger, E. (1998) Identification of rodent carcinogens and noncarcinogens using genetic toxicity tests: premises, promises, and performance. Regul. Toxicol. Pharmacol., 28, 85-95.
18. Benigni, R., Bossa, C., and Tcheremenskaia, O. (2012) In vitro cell transformation assays for an integrated, alternative assessment of carcinogenicity: a data-based analysis. Mutagenesis 2012 November 6[Epub ahead of print].
19. OECD (2007) Detailed Review Paper on Cell Transformation Assays for Detection of Chemical Carcinogens. No. OECD, OECD Series on Testing and Assessment, Paris.
20. Sakai, A., Sasaki, K., Muramatsu, D., et al. (2010) A Bhas 42 cell transformation assay on 98 chemicals: the characteristics and performance for the prediction of chemical carcinogenicity. Mutat. Res., 702, 100-122.
21. Benigni, R., Giuliani, A., Franke, R. and Gruska, A. (2000) Quantitative structure-activity relationships of mutagenic and carcinogenic aromatic amines. Chem. Rev., 100, 3697-3714.
22. Benigni, R., Bossa, C., Netzeva, T., Rodomonte, A. and Tsakovska, I. (2007) Mechanistic QSAR of aromatic amines: new models for discriminating between homocyclic mutagens and nonmutagens, and validation of models for carcinogens. Environ. Mol. Mutagen., 48, 754-771.
23. Franke, R., Gruska, A., Bossa, C. and Benigni, R. (2010) QSARs of aromatic amines: identification of potent carcinogens. Mutat. Res., 691, 27-40.
24. Benigni, R. and Bossa, C. (2008) Predictivity of QSAR. J. Chem. Inf. Model., 48, 971-980.
25. Benigni, R., Bossa, C., Alivernini, S. and Colafranceschi, M. (2012) Assessment and validation of US EPA's OncoLogic® expert system and analysis of its modulating factors for structural alerts. J. Environ. Sci. Health. C. Environ. Carcinog. Ecotoxicol. Rev., 30, 152-173.
26. Benigni, R., Netzeva, T. I., Benfenati, E., et al. (2007) The expanding role of predictive toxicology: an update on the (Q)SAR models for mutagens and carcinogens. J. Environ. Sci. Health. C. Environ. Carcinog. Ecotoxicol. Rev., 25, 53-97.
27. Ashby, J. (1985) Fundamental structural alerts to potential carcinogenicity or noncarcinogenicity. Environ. Mutagen., 7, 919-921.
28. Benigni, R. and Bossa, C. (2008) Structure alerts for carcinogenicity, and the Salmonella assay system: a novel insight through the chemical relational databases technology. Mutat. Res., 659, 248-261.
29. Worth, A. P., Bassan, A., De Bruijn, J., Gallegos Saliner, A., Netzeva, T., Patlewicz, G., Pavan, M., Tsakovska, I. and Eisenreich, S. (2007) The role of the European Chemicals Bureau in promoting the regulatory use of (Q) SAR methods. SAR QSAR Environ. Res., 18, 111-125.
30. Benigni, R., Bossa, C. and Worth, A. (2010) Structural analysis and predictive value of the rodent in vivo micronucleus assay results. Mutagenesis, 25, 335-341.
31. Benigni, R. (2012) Alternatives to the carcinogenicity bioassay for toxicity prediction: are we there yet? Expert Opin. Drug Metab. Toxicol., 8, 1-11.
32. McGuinness, D. L. (2003) Ontologies come of age. In Fensel, D., Hendler, J., Lieberman, H. and Wahlster, W. (eds), Spinning the Semantic Web: Bringing the World Wide Web to its Full Potential. MIT Press, Boston.
33. Tcheremenskaia O., Benigni, R., Nikolova, I., et al. (2012) OpenTox predictive toxicology framework: toxicological ontology and semantic media wiki-based OpenToxipedia. J. Biomed. Semantics, 3S7.
34. Benigni, R., Tcheremenskaia, O., Bossa, C., Batke, M., Baier, T., Hirmann, D., and Schultz, T. W. (2012) A toxicological ontology for the OECD QSAR Toolbox. Forty second Annual Meeting of the European Environmental Mutagen Society (EEMS), 2012 September 16-20. Warsaw.
35. Benigni, R., Battistelli, C. L., Bossa, C., Colafranceschi, M.and Tcheremenskaia, O. (2012). Mutagenicity, carcinogenicity, and other end points. In Reisfeld, B. and Mayeno, A.N. (eds), Computational Toxicology. Springer, New York, pp. 67-98.