cover image: Practical applications of quantitative structure-activity relationships (qsar) in environmental chemistry and toxicology.

20.500.12592/ttjb31

Practical applications of quantitative structure-activity relationships (qsar) in environmental chemistry and toxicology.

24 Feb 2008

The present volume reflects and combines the lectures which wil l be organised in June 1990 in the frame of the Eurocourse programme at JRC Ispra under the sponsorship of the Institute for the Environment. [...] However, the conviction seems to gain ground that the systematic and comprehensive risk manage ment of the multitude of chemical substances which are present on the market and in the environment cannot be based on the availability of experimental data alone. [...] An essential requirement for the development and valida tion of meaningful QSAR applications is, of course, the availability of reliable experi mentally tested data bases, often in the form of factual data banks as for instance ECDIN (5) in Europe, Aquire (6) in the USA or collections of data such as the compi lation of log P values by Hansch and Leo (7). [...] It is clear that this first step plays a key role for the derivation of the desired model since the representativity and size of the training set and the quality of the selected data will affect all of the following phases of the exercise. [...] The broader the selection range of compounds in the training set and the more varied the experimental conditions the wider the application limits of the model can be extended (see Fig.

Authors

European Commission

Catalogue Number
EU-NA-12831-EN-C
Creator
Publications Office of the European Union
ISBN
0792308271
Published in
Belgium
Rights
© European Union