Application of QSARs: Correlation of Acute Toxicity in the Rat Following Oral or Inhalation Exposure

Quantitative Structure‐Activity Relationships (QSARs) based upon a lethal narcosis mechanism represent baseline or minimum toxicity, i.e. unless a chemical acts by a more specific mechanism, its toxicity will be predicted by such models. Baseline toxicity should be independent of exposure route. A t...

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Bibliographic Details
Published in:QSAR & combinatorial science 2004-09, Vol.23 (7), p.521-525
Main Authors: de Wolf, Watze, Lieder, Paul H., Walker, John D.
Format: Article
Language:English
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Summary:Quantitative Structure‐Activity Relationships (QSARs) based upon a lethal narcosis mechanism represent baseline or minimum toxicity, i.e. unless a chemical acts by a more specific mechanism, its toxicity will be predicted by such models. Baseline toxicity should be independent of exposure route. A toxicity ratio (TR) is defined as the ratio of the calculated baseline toxicity over the experimentally determined value. A TR‐value of approx. 1 indicates baseline toxicity. A TR‐value greater than 1 indicates excess toxicity due to the existence of a more specific mechanism of action. We investigated the possibility of extrapolation from the inhalation route to the oral route by applying the above concepts.
ISSN:1611-020X
1611-0218
DOI:10.1002/qsar.200430861