Quantitative structure/activity relationships (QSAR) in toxicologyFunded under: JRC-ENVPROT 4C
The structure of a chemical substance can be correlated with a large array of physicochemical properties or biological behaviour, such as melting and boiling points, odour or taste, mutagenic or carcinogenic effects. This has given rise to an increased interest in a wide range of structure-activity relationships. This book provides a general introduction and some background information on the status and potential of QSAR studies. It contains the lectures presented at a study meeting organised by the University of Pavia and the JRC at Ispra. A general overview of basic concepts and capabilities of QSAR, especially in environmental chemistry and toxicology, is given in the first presentation, including some relevant examples. Subsequent papers deal with the molecular descriptors which can be used to derive structure-activity relationships and the statistical analyses which form the mathematical basis for qualitative and quantitative QSAR models. The second part addresses some specific applications in the area of anti-cancer drug development, estimation of target organs for xenobiotics and the elucidation of action mechanisms of toxic or bioactive chemicals.
Bibliographic Reference: EUR 14308 EN (1992) 90 pp., FS, free of charge
Availability: Available from Joint Research Centre, Public Relations Office, I-21020 Ispra (Va.) (IT)
Record Number: 199210766 / Last updated on: 1994-12-02
Original language: en
Available languages: en