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Genetic Algorithms in Molecular Modeling is the first book available on the use of genetic algorithms in molecular design. This volume marks the beginning of an ew series of books, Principles in Qsar and Drug Design, which will be an indispensible reference for students and professionals involved in medicinal chemistry, pharmacology, (eco)toxicology, and agrochemistry. Each comprehensive chapter is written by a distinguished researcher in the field.

Through its up to the minute content, extensive bibliography, and essential information on software availability, this book...

Ecotoxicology Modeling is a comprehensive and well-documented text providing a collection of computational methods to the ecotoxicologists primarily interested in the study of the adverse effects of chemicals, their mechanisms of action and/or their environmental fate and behavior. Avoiding mathematical jargon, the book presents numerous case studies to enable the reader to understand the interest but also the limitations of linear and nonlinear models in ecotoxicology.

Written by an international team of scientists, Ecotoxicology Modeling is of...

Uses Computational Tools to Simulate Endocrine Disruption Phenomena

Endocrine Disruption Modeling provides a practical overview of the current approaches for modeling endocrine activity and the related potential adverse effects they may induce on environmental and human health. Based on the extensive research of an international panel of contributors from industry, academia, and regulatory agencies, this is the first book devoted to using computer tools to better understand and simulate the multifaceted aspects of endocrine disruption in humans and...

Bees are critically important for ecosystem function and biodiversity maintenance through their pollinating activity. Unfortunately, bee populations are faced with many threats, and evidence of a massive global pollination crisis is steadily growing. As a result, there is a need to understand and, ideally, predict how bees respond to pollution disturbance, to the changes over landscape gradients, and how their responses can vary in different habitats, which are influenced to different degrees by human activities.
Modeling approaches are useful to simulate the behavior of whole...

Ecotoxicology Modeling is a comprehensive and well-documented text providing a collection of computational methods to the ecotoxicologists primarily interested in the study of the adverse effects of chemicals, their mechanisms of action and/or their environmental fate and behavior. Avoiding mathematical jargon, the book presents numerous case studies to enable the reader to understand the interest but also the limitations of linear and nonlinear models in ecotoxicology.

Written by an international team of scientists, Ecotoxicology Modeling is of...

Juvenile hormones (JHs) are a group of structurally related sesquiterpenes secreted by the insect corpora allata. They affect most insect life-cycle stages and physiological functions, including embryogenesis, larval and adult development, metamorphosis, reproduction, metabolism, diapause, polyethism, and migration. Juvenoids such as methoprene, hydroprene, kinoprene, pyriproxyfen, and fenoxycarb are man-made chemicals that mimic the structure and/or activity of JHs, selectively targeting and disrupting the endocrine system of insects. They are particularly suited as larvicides for...

There is a compelling need for new drugs and efficient treatments against mosquito-borne diseases. Environmentally safe, but effective insecticides that address the problems of resistance are required. Computational Design of Chemicals for the Control of Mosquitoes and Their Diseases explains how the search for new substances effective against mosquitoes and their diseases has benefited from the use of in silico techniques. QSAR modeling is suited to identify the key structural features and/or physicochemical properties explaining an activity and to propose candidate...