Content:
- Forewords, Pages xi-xiv, Emilio Benfenati
Preface, Pages xv-xxi, Emilio Benfenati, Mosè Casalegno
Chapter 1 - QSARs for regulatory purposes: The case for pesticide authorization, Pages 1-57, Emilio Benfenati, Mark Clook, Steven Fryday, Andy Hart
Chapter 2 - Databases for pesticide ecotoxicity, Pages 59-81, Emilio Benfenati, Elena Boriani, Marian Craciun, Ladan Malazizi, Daniel Neagu, Alessandra Roncaglioni
Chapter 3 - Characterization of chemical structures, Pages 83-109, Emilio Benfenati, Mosè Casalegno, Jane Cotterill, Nick Price, Morena Spreafico, Andrey Toropov
Chapter 4 - Algorithms for (Q)SAR model building, Pages 111-147, Qasim Chaudhry, Jacques Chrétien, Marian Craciun, Gongde Guo, Frank Lemke, Johann-Adolf Müller, Daniel Neagu, Nadège Piclin, Marco Pintore, Paul Trundle
Chapter 5 - Hybrid systems, Pages 149-183, Nicolas Amaury, Emilio Benfenati, Severin Bumbaru, Antonio Chana, Marian Craciun, Jacques R. Chrétien, Giuseppina Gini, Gongde Guo, Frank Lemke, Viorel Minzu, Johann-Adolf Müller, Daniel Neagu, Marco Pintore, Silviu Augustin Stroia, Paul Trundle
Chapter 6 - Validation of the models, Pages 185-199, Emilio Benfenati, Jacques R. Chrétien, Giuseppina Gini, Nadège Piclin, Marco Pintore, Alessandra Roncaglioni
Chapter 7 - Results of DEMETRA models, Pages 201-281, Nicolas Amaury, Emilio Benfenati, Elena Boriani, Mosè Casalegno, Antonio Chana, Qasim Chaudhry, Jacques R. Chrétien, Jane Cotterill, Frank Lemke, Nadège Piclin, Marco Pintore, Chiara Porcelli, Nicholas Price, Alessandra Roncaglioni, Andrey Toropov
Chapter 8 - The quality criteria of the DEMETRA models for regulatory purposes: Specificity, general lessons and future perspectives, Pages 283-301, Emilio Benfenati
Chapter 9 - The use of the DEMETRA models, Pages 303-313, Emilio Benfenati, Marian Craciun, Daniel Neagu
Appendix A - Summary of responses to DEMETRA survey, Pages 317-321
Appendix B - Toxicity values for five ECOTOX data sets for pesticide, Pages 323-461
Appendix C - Example procedures in molecular modelling, Pages 463-468
Appendix D - The descriptors selected for each data set, Pages 469-485
Appendix E - List of abbreviations, Pages 487-491
Appendix F - Software tool for toxicity prediction of pesticides, candidate pesticides, and their derivatives (user guide), Pages 493-503
Index, Pages 505-510