Computer prediction of possible toxic action from chemical structure: an update on the DEREK system.
Toxicology
; 106(1-3): 267-79, 1996 Jan 08.
Article
em En
| MEDLINE
| ID: mdl-8571398
ABSTRACT
Computer-based assessment of potential toxicity has become increasingly popular in recent years. The knowledge-base system DEREK is developed under the guidance of a multinational Collaborative Group of expert toxicologists and provides a qualitative approach to toxicity prediction. Major developments of the DEREK program and knowledge-base have taken place in the last 3 years. Program developments include improvements in both the user interface and data processing. Work on the knowledge-base has concentrated on the areas of genotoxicity and skin sensitisation. DEREK's predictive capabilities for these toxicological end-points has been demonstrated. In addition to the continued expansion of the knowledge-base, a number of enhancements are planned in the DEREK program. In particular, work is in progress to develop further DEREK's ability to report the reasoning behind its predictions.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Toxicologia
/
Simulação por Computador
/
Sistemas Inteligentes
/
Software
/
Carcinógenos
/
Substâncias Perigosas
Tipo de estudo:
Prognostic_studies
/
Qualitative_research
/
Risk_factors_studies
Limite:
Humans
Idioma:
En
Revista:
Toxicology
Ano de publicação:
1996
Tipo de documento:
Article
País de afiliação:
Reino Unido