Validation and subsequent development of the derek skin sensitization rulebase by analysis of the BgVV list of contact allergens

Journal of Chemical Information and Computer Sciences

Volumn 39, Issue 2, 1999, Pages 294-298

  Barratt, M D ^a   Langowski, J J ^b  

^a UNILEVER RESEARCH   (United Kingdom)

^b UNIVERSITY OF LEEDS   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ALLERGEN; HYDROXYLAMINE; PEROXIDE;

ANIMAL; ARTICLE; ARTIFICIAL INTELLIGENCE; CHEMISTRY; DRUG EFFECT; DRUG SCREENING; GUINEA PIG; IMMUNOLOGY; PHOTOALLERGY; REPRODUCIBILITY; SKIN; SKIN ALLERGY; STRUCTURE ACTIVITY RELATION;

ALLERGENS; ANIMALS; ARTIFICIAL INTELLIGENCE; DERMATITIS, ALLERGIC CONTACT; DERMATITIS, PHOTOALLERGIC; DRUG EVALUATION, PRECLINICAL; GUINEA PIGS; HYDROXYLAMINE; PEROXIDES; REPRODUCIBILITY OF RESULTS; SKIN; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0033091308     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci980204n     Document Type: Article

References (27)

1. Sanderson, D. M.; Earnshaw, C. G. Computer prediction of possible toxic action from chemical structure; The DEREK system. Hum. Exp. Tax. 1991, 10, 261-273.
2. Ridings, J. E.; Barratt, M. D.; Cary, R.; Earnshaw, C. G., Eggington, C. E., Ellis, M. K.; Judson, P. N.; Langowski, J.J.; Marchant, C. A.; Payne, M.P.; Watson, W. P.; Yih, T. D. Computer prediction of possible toxic action from chemical structure: an update on the DEREK system. Toxicol. 1996, 106, 267-279.
3. Dearden, J. C. Physico-chemical descriptors. In Practical applications of quantitative structure-activity relationships (QSAR) in environmental chemistry and toxicology; (Karcher, W.; Devillers, J., Eds.; Kluwer Academic Publishers: Dordrecht, The Netherlands, 1990; pp 25-59.
4. Barratt, M. D.; Basketter, D. A.; Chamberlain, M.; Payne, M. P.; Admans, G. D.; Langowski, J. J. Development of an expert system rulebase for identifying contact allergens. Toxicol. in Vitro 1994, 8, 837-839.
5. Barratt, M. D.; Basketter, D. A.; Chamberlain, M.; Admans, G. D.; Langowski, J. J. An expert system rulebase for identifying contact allergens. Toxicol. in Vitro 1994, 8, 1053-1060.
6. EEC. EEC Commission Directive of 29 July 1983 adapting to technical progress for the fifth time Directive 67/548/EEC on the approximation of laws, regulations and administrative provisions relating to the classification, packaging and labelling of dangerous substances. (Annex V). Official Journal of the European Communities 1983, L257, 1.
7. Barratt, M. D.; Basketter, D. A. In Toxicology of Contact Hypersensitivity; Kimber, I.; Maurer, T., Eds.; Taylor & Francis: London, 1996; pp 79-97.
8. Chemikalien und Kontaktallergie - Eine bewertende Zusammenstellung; Kayser, D.; Schlede, E., Eds.; MMV Medizin Verlag GmbH: Munchen, 1995.
9. Pirila, V.; Siltanen, E. On the chemical nature of the eczematogenic agent in oil of turpentine, II. Dermatologica 1956, 113, 1-13.
10. Karlberg, A-T.; Bergstedt, E.; Boman, A.; Bohlinder, K.; Liden, C.; Nilsson, J.; Wahlberg, J. E. Is abietic acid the allergenic component of colophony? Contact Dermatitis 1985, 13, 209-215.
11. Fisher, A. A. Contact Dermatitis, 3rd. Ed.; Lea and Febiger: Philadelphia; 1986.
12. Karlberg, A-T.; Shao, L. P.; Nilsson, U.; Gafvert, E.; Nilsson, J. L. G. Hydroperoxides in oxidized _-limonene identified as potent contact allergens. Arch. Dermatol. Res. 1994, 286, 97-103.
13. Gafvert, E.; Shao, L.P.; Karlberg, A-T.; Nilsson, U.; Nilsson, J. L. G. Contact allergy to resin acid hydroperoxides. Hapten binding via free radicals and epoxides. Chem. Res. Toxicol. 1994, 7, 260-266.
14. Gad, S. C. A scheme for the prediction and ranking of relative potencies of dermal sensitizers based on data from several systems. J. Appl. Toxicol. 1988, 8, 361-368.
15. Gad, S. C. Development and validation of an alternative dermal sensitization test: the mouse ear swelling test (MEST). Toxicol. Appl. Pharmacol. 1986, 84, 93-114.
16. ELINCS. Commission communication pursuant to Article 2 of Commission Decision 85/71/EEC of 21 December 1984 concerning the list of chemical substances notified pursuant to 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 Journal of the European Communities 1994, 37, C361, 3-189.
17. Wilkinson, D. S. Photodermatitis due to tetrachlorosalicylanilide. Br. J. Dermatol. 1961, 73, 213-219.
18. Epstein, S.; Enta, T. Photoallergic contact dermatitis. J. Am. Med. Assoc. 1965, 195, 1016.
19. Ippen, H. Photoallergisches Ekzem durch das Antimykotikum 4-Clor-2-hydroxybenzoesaure-N-n-butylamid Jadit. Z. Haut-u. Geschl.-Kr. 1961, 31, 185-187.
20. Burry, J. N. Photoallergies to fentichlor and multifungin. Arch. Dermatol. 1967, 95, 287-291.
21. Jillson, O. F.; Baughman, R. D. Contact photodermatitis from bithionol. Arch. Dermatol. 1963, 88, 409-418.
22. Barratt, M. D.; Brown, K. R. Photochemical binding of photoallergens to human serum albumin: A simple in vitro method for screening potential photoallergens. Toxicol. Lett. 1985, 24, 1-6.
23. Pendlington, R. U.; Barratt, M. D. Molecular basis of photocontact allergy. Int. J. Cosmet. Sci. 1990, 12, 91-103.
24. Delahanty, J. N.; Evans, J. C.; Rowlands, C. C.; Barratt, M. D. An electron spin resonance study of the free radicals formed on ultraviolet irradiation of the photoallergens fentichlor and bithionol. J. Chem. Soc., Faraday Trans. I 1987, 83, 135-139.
25. Francalanci, S.; Gola, M.; Giorgini, S. Occupational photocontact dermatitis from olaquindox. Contact Dermatitis 1986, 15, 112-114.
26. Maguire, H. C., Jr.; Kaidbey, K. Experimental photoallergic contact dermatitis: a mouse model. J. Invest. Dermatol. 1982, 79, 147-152.
27. Motten, A. G., Chignell, C. F.; Mason, R. P. Spectroscopic studies of cutaneous photosensitizing agents - VI. Identification of the free radicals generated during the photolysis of musk ambrette, musk xylene and musk ketone. Photochem. Photobiol. 1983, 38, 671-678.