Application of QSARs: Correlation of Acute Toxicity in the Rat Following Oral or Inhalation Exposure
Watze de Wolf, Paul H. Lieder, John David Walker · QSAR & Combinatorial Science · 2004
Abstract 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.