Chemical and biological properties of polycyclic aromatic hydrocarbons (PAH) in structure-activity relationship (SAR) studies
For many years polycyclic aromatic hydrocarbons (PAH) and analogous heterocyclic compounds have attracted the close interest of chemists and biochemists. The large number of structures and configurations not only presents a considerable challenge to chemists and analysts, but also provides a vast testing ground for biochemists after the discovery of the carcinogenic potential of many of these compounds. Recently, interest in the application of qualitative and quantitative structure-activity relationships (SAR/QSAR) has increased markedly, promoted by the rapid development and expansion of computing capabilities. It appears that polycyclic aromatic hydrocarbons are well suited to the application of QSAR concepts for the estimation of physicochemical properties. As would be expected, however, accuracy levels decrease significantly from the estimation of physicochemical properties through derivation of environmental properties and acute toxicities down to the estimation of chronic toxicity effects, such as mutagenicity and carcinogenicity. This paper gives an overview of the scope and limitations of applying SAR concepts to the investigation of chemical and biological properties of PAH.
Bibliographic Reference: Paper presented: 5th meeting on Bioorganic Chemistry, Liblice (CS), April 22-24, 1992
Availability: Available from (1) as Paper EN 36723 ORA
Record Number: 199210640 / Last updated on: 1994-12-02
Original language: en
Available languages: en