Rational Approaches to Structure, Activity, and Ecotoxicology of Agrochemicals

by Draber; Wilfried

• ISBN13: 9780849358593
• ISBN10: 0849358590
• Format: Hardcover
• Copyright: 1992-07-14
• Publisher: CRC Press

Summary

This book presents discussions of the most important aspects in the development of agrochemicals. The book covers such broad areas as structure activity and ecotoxicological analyses in comprehensive reviews for general methods and chronicles for individual examples. Topics in structure-activity relationships include how to combine submolecular structures of pharmacological interests and modify them according to chemorational models with computer-aided procedures such as the traditional Hansch-type QSAR, the sequential, simplex optimization, and molecular modeling. Topics in the ecotoxicology of organo phosphorus compounds are discussed in terms of the quantitative structure-toxicity relationship (QSTR). Chronicles of molecular orbital methodology in predicting environmental fates of agrochemicals are also provided.This volume will be invaluable for researchers in the agrochemical and pharmaceutical industries.

Table of Contents

General Methods
Sequential Simplex Optimization Strategies in Agrochemical/Drug Design	p. 3
Principles and Usage of Steric Parameters in Correlation Analysis of Pesticides	p. 41
Novel Ways to Factor the Bioresponse Data of Drugs, Toxicants, and Agrochemicals	p. 79
A Chemorational Approach to Agrochemicals: the Trifluoromethylpyridinyl Group as a Building Block	p. 103
Applications
Insecticides
QSAR and Rational Design of Insecticides	p. 123
Rational Approaches to Finding Agrochemical Leads	p. 147
Physical-Organic Concepts in Structure-Activity Relationships in the Development of Insecticides	p. 163
Structure Evolutions of Synthetic Pyrethroid Insecticides in Correlational Views Guided by Template Procedure as Applied to Natural Product Models with High Structural Multiplicity	p. 185
Transition State Analog Enzyme Inhibitors: Structure-Activity Relationships of Trifluoromethyl Ketones	p. 219
Design of Proinsecticides	p. 251
Herbicides
Structure-Activity Studies of Photosynthesis Inhibitors	p. 277
Application of the Hansch-Fujita Method to the Design of Amide and Urea Herbicides	p. 315
Development and Analysis of QSAR Models for Generating Pesticidal Synthesis Programs	p. 331
Chemical Structure and Activity of Herbicidal Inhibitors of Phytoene Desaturase	p. 357
Structure-Activity Relationships of Sulfonylurea Herbicides	p. 373
Cyclohexanedione Herbicides: Their Activities and Properties	p. 397
Fungicides
Application of the Hansch-Fujita Method to the Design of Imide and Carbamate Fungicides	p. 429
Quantitative Structure-Activity Relationships and Molecular Graphics Study of Triflumizole and Related Fungicidal Imidazoles	p. 445
QSAR of 1-N-Substituted Azoles Active against Botrytis cinerea	p. 465
Ecotoxicology
Ecotoxicology and Structure-Activity Studies of Organophosphorus Compounds	p. 485
Application of Molecular Orbital Calculations to the Estimation of Environmental and Metabolic Fates of Pesticides	p. 543
Index	p. 567
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