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| QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS (QSAR) FOR PESTICIDE REGULATORY PURPOSES
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Emilio Benfenati, Laboratory of Environmental Chem. and Toxicology, Mario Negri Institute, Miliano, Italy
Description
Quantitative Structure-Activity Relationship (QSAR) for Pesticide Regulatory Purposes stems from the experience of the
EC funded project DEMETRA. This project combined institutes involved in the regulatory process of pesticides, industries of the sector
and scientists to develop and offer original software for the prediction of ecotoxicity of pesticides. Then to be used within the dossier
preparation for pesticide registration. The basis of this book is more than three-years of research activities, discussions, studies
and successful models. This experience represents a useful example not only for the case of pesticides, but also for the prediction of
ecotoxicity and toxicity in general.
QSAR is used to link a given property of a chemical compound with some features related to
its structure. The theoretical toxicological, chemical and information technology aspects will be treated considering the regulatory issues. Innovative hybrid systems will be described, for the toxicity prediction of pesticides and related compounds, directly useful
for pesticide evaluation within the Dossier preparation for pesticide registration. Five endpoints will also be discussed, addressing
issues as standardisation, verification, validation, accessibility, reproducibility.
The driving force for Quantitative Structure-Activity
Relationship (QSAR) for Pesticide Regulatory Purposes is that all the issues of concern for end-users are analysed, discussed
and solutions proposed further. An innovative feature is that, in order to offer powerful QSAR models, the book discusses and reports
on integrated QSAR models, combined into a unique hybrid system.
Audience
For regulators of chemicals, chemical industries, scientists in QSAR field; IT, and toxicology, consumer and animal protection associations
Contents
1. Chapter 1. QSAR for regulatory purposes: the case for pesticide authorization
2. Chapter 2. Databases for pesticide ecotoxicity
3. Chapter 3. Characterization of chemical structures
4. Chapter 4. Algorithms for (Q)SAR models building
5. Chapter 5.
Hybrid systems
6. Chapter 6. Validation of the models
7. Chapter 7. Results of the modeling step
8. Chapter 8. The quality
criteria of the DEMETRA models for regulatory purposes, specificity, general lessons and future perspectives
9. Chapter 9. Use of
the DEMETRA models
| Bibliographic details |
Hardbound, 532 pages, publication date: MAR-2007
ISBN-13: 978-0-444-52710-3
ISBN-10: 0-444-52710-9
Imprint: ELSEVIER
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| Price and Ordering |
Price:
USD 225
GBP 138
EUR 162.95
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Last update: 25 Nov 2009
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