Quantitative structure-activity relationships (QSARs) for skin corrosivity of organic acids, bases and phenols: Principal components and neural network analysis of extended datasets

Toxicology in Vitro

Volumn 10, Issue 1, 1996, Pages 85-94

  Barratt, M D ^a  

^a UNILEVER RESEARCH   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BASE; CARBOXYLIC ACID; PHENOL DERIVATIVE;

ARTICLE; ARTIFICIAL NEURAL NETWORK; CYTOTOXICITY; PARTITION COEFFICIENT; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SKIN IRRITATION; SKIN PERMEABILITY;

EID: 0029887895     PISSN: 08872333     EISSN: None     Source Type: Journal    
DOI: 10.1016/0887-2333(95)00101-8     Document Type: Article

References (15)

1. Barratt M. D. (1995a) Quantitative structure activity relationships for skin corrosivity of organic acids, bases and phenols. Toxicology Letters 75, 169-176.
2. Barratt M. D. (1995b) Quantitative structure-activity relationships for skin permeability. Toxicology in Vitro 9, 27-37.
3. Barratt M. D. (1995c) A quantitative structure activity relationship for the eye irritation potential of neutral organic chemicals. Toxicology Letters. 80, 69-74.
4. Barratt M. D., Dixit M. B. and Jones P. A. (1996) The use of in vitro cytotoxicity measurements in QSAR methods for the prediction of the skin corrosivity potential of acids. Toxicology in Vitro 10. In press.
5. Basketter D. A., Whittle E., Griffiths H. A. and York M. (1994) The identification and classification of irritation hazards by a human patch test. Food and Chemical Toxicology 32, 769-775.
6. Chamberlain M. and Barratt M. D. (1995) Practical applications of QSAR to in vitro toxicology illustrated by consideration of eye irritation. Toxicology in Vitro 9, 543-547.
7. 84/449/EEC (1984) Commission Directive of 25 April 1984 adapting to technical progress for the sixth time Council Directive 67/548/EEC on the approximation of laws, regulations and administrative provisions relating to the classification, packaging and labelling of dangerous substances. Official Journal of the European Communities L251, 106-108.
8. 93/72/EEC (1993) Annex to Commission Directive of 1 September 1993 adapting to technical progress for the nineteenth time Council Directive 67/548/EEC on the approximation of laws, regulations and administrative provisions relating to the classification, packaging and labelling of dangerous substances. Official Journal of the European Communities L258A, 36.
9. Flynn G. L. (1990) Physicochemical determinants of skin absorption. In Principles of Route-to-Route Extrapolation for Risk Assessment. Edited by T. R. Gerrity and C. J. Henry, pp. 93-127. Elsevier, New York.
10. Handbook of Biochemistry and Molecular Biology. 3rd Ed. (1976) Edited by G. R. Fasman. The Chemical Rubber Co., Cleveland, OH.
11. Handbook of Chemistry and Physics. (1970) 51st Ed. Edited by R. C. Weast. The Chemical Rubber Co., Cleveland, OH.
12. Nixon G. A., Tyson C. A. and Wertz W. C. (1975) Interspecies comparisons of skin irritancy. Toxicology and Applied Pharmacology 31, 481-490.
13. Rumelhart D. E., Hinton G. E. and Williams R. J. (1986) Learning internal representations by error propagation. In Parallel Distributed Processing in the Microstructures of Cognition. Edited by D. E. Rumelhart, J. L. McLelland and the PDP Research Group. pp. 318-362. MIT Press, Cambridge, MA.
14. Suzuki T. (1991) Development of an automated estimation system for both partition coefficient and aqueous solubility. Journal of Computer-Aided Molecular Design 5, 140-150.
15. Suzuki T. and Kudo Y. (1990) Automatic logP estimation based on combined additive modelling methods. Journal of Computer-Aided Molecular Design 4, 155-198.