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Structure-Activity Relationships in Environmental Science is the first book of its kind that brings together information from a variety of sources into one document. It provides a comprehensive overview of the entire field of quantitative structure-activity relationships (QSARs) as well as being a reference for SAR experts.
The book comprises three parts. Part One covers the theoretical background of structure-activity studies and Part Two deals with the practical applications of such methods in the environmental sciences. Part Three critically discusses SAR models with respect to their reliability and their aptness in environmental hazard and risk assessment. Recommendations are made as to which model to use and the case is presented for using QSARs in hazard assessment.
The use of QSARs is becoming increasingly important since there is little experimental data available on environmentally relevant chemicals. Structure-Activity Relationships in Environmental Sciences will thus serve as an invaluable guide to both postgraduate and research scientists as well as professional ecologists.
List of contents
One Theoretical Background.- 1 Descriptors of the chemical structures.- 2 Activity and effects parameters.- 3 Statistical methods.- Two Application of QSARs in Environmental Sciences.- 4 Exposure-related parameters.- 5 Effects-related parameters.- 6 Validation status of QSAR models for exposure-and effects-related parameters.- Three Application of QSARs in Environmental Hazard and Risk Assessments.- 7 Assessments of chemical mixtures.- 8 Interspecies correlations.- 9 Application of QSAR estimates in hazard evaluation and risk assessment.- Appendix: QSAR-related computer programs and software.- References and bibliography.
