A Mini Review of Mammalian Toxicity (Q)SAR Models
| Autor: | Ivanka Tsakovska, Tatiana I. Netzeva, Andrew Worth, Iglika Lessigiarska |
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| Rok vydání: | 2008 |
| Předmět: |
Quantitative structure–activity relationship
Computer science Organic Chemistry Authorization Context (language use) computer.software_genre Computer Science Applications Mini review Joint research Risk analysis (engineering) Drug Discovery European commission Mammalian toxicity Data mining computer |
| Zdroj: | QSAR & Combinatorial Science. 27:41-48 |
| ISSN: | 1611-0218 1611-020X |
| DOI: | 10.1002/qsar.200710107 |
| Popis: | This paper is based on an in-depth review performed by the European Chemicals Bureau of the European Commission's Joint Research Centre in support of the development of technical guidance for the implementation of the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) legislation, and is one of a series of minireviews in this journal. Compared with the QSAR modelling of ecotoxicity, the modelling of mammalian toxicity is more complicated. This is reflected by the relatively small number of QSAR studies on mammalian toxicity published in the literature. The main problem is related to wide variations in the accuracy of the in vivo data, in the organisms used, and also in the complexity and poor understanding of the mechanisms involved, especially for long-term effects. Nevertheless, the efforts already made to develop QSAR models for mammalian toxicity demonstrate the usefulness of the approach not only for predictive purposes but also for a better understanding of the multiple mechanisms involved in the toxicity. However, there is a need to better characterise existing models in accordance with the OECD QSAR validation principles, to develop new models, and to investigate the applicabilities of individual models in the regulatory context, such as for the purposes of the REACH legislation. |
| Databáze: | OpenAIRE |
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