Presentation of correspondence analysis and multiple correspondence analysis with the help of examples..- Multiple factor analysis: a method to analyse several groups of variables measured on the same set of individuals..- Principal component and correspondence analyses with respect to instrumental variables: an overview of their role in studies of structure-activity and species-environment relationships..- Basic procedures in hierarchical cluster analysis..- Interpretation of hierarchical clustering..- Graphical techniques for multidimensional data analysis..- Factor analysis and risk perception..- The use of similarity and clustering techniques for the prediction of molecular properties..- Multivariate analysis of the input and output data in the fugacity model level I..- Multivariate analyses in genetic toxicology..- A structure-biodegradability relationship model by discriminant analysis..- Multivariate image analysis in chemistry: an overview..- Chemical multivariate image analysis: some case studies..- Multilayer neural networks applied to structure-activity relationships..

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 primary interest to those whose research or professional activity is directly concerned with the development and application of models in ecotoxicology. It is also intended to provide the graduate and post-graduate students with a clear and accessible text covering the main types of modeling approaches used in environmental sciences.

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 leads the reader from the theoretical aspects to the practical applications. It enables the uninitiated reader to apply genetic algorithms for modeling the biological activities and properties of chemicals, and provides the trained scientist with the most up to date information on the topic.
. Extremely topical and timely
. Sets the foundations for the development of
computer-aided tools for solving numerous
problems in QSAR and drug design
. Written to be accessible without prior direct
experience in genetic algorithms

Each volume in the series focuses on a particular taxon, presenting detailed and reliable ecotoxicological results from both laboratory and field experiments, performed for a comprehensive range of chemicals. A taxonomical guide to the species is given, together with relevant biological and ecological information.
In recent times much attention has been focused on the effects of anthropogenic emissions of chemicals. This series is unique in providing a considered estimate of the potential impact of such chemicals on the environment.
"Ecotoxicity of Chemicals to Photobacterium Phosphoreum" is the second volume in the series "Handbooks of Ecotoxicological Data." After a brief introductory chapter on the usefulness of the Microtox(R) test, toxicity results for a large collection of over a thousand chemicals are presented in unparalleled detail, thus ensuring the accuracy and reliability of the data. An advantage of this book is that it contains many hitherto unpublished results which

This book presents detailed and reliable ecotoxicological results from both laboratory and field experiments, performed for a comprehensive range of chemicals to Photobacterium Phosphoreum. It provides a considered estimate of the potential impact of such chemicals on the environment.

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 molecules for further evaluation by laboratory tests. Homology modeling is useful to approximate the 3D structure of proteins of interest. Pharmacophore modeling is a powerful means to capture the chemical features responsible for an activity and to identify new potentially active compounds via the virtual screening of databases. Fugacity modeling and a wealth of other modeling paradigms are useful for risk assessment in vector borne disease control.

Honey Bees: Estimating the Environmental Impact of Chemicals provides the reader with an up-to-date account of the different strategies currently in use or in development for assessing the ecotoxicity of xenobiotics against these social insects which play a key role in both ecology and agriculture. In addition to the classical acute laboratory test, semi-field cage tests and full field funnel tests, new tests based mainly on behavioural responses are for the first time clearly described. Information on the direct and indirect effects on honey bees of radionuclides, heavy metals, pesticides, semi-volatile organic compounds and genetically modified plants is also presented.

eBook available with sample pages: 0203218655

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 population dynamics as well as to focus on important phenomena detrimental to bee-life history traits. They also allow simulation of how a disease or a pesticide can impact the survival and growth of a bee population. In Silico Bees provides a collection of computational methods to those primarily interested in the study of the ecology, ethology, and ecotoxicology of bees. The book presents different cases studies to enable readers to understand the significance and also the limitations of models in theoretical and applied bee research. The text covers modeling of honey bee society organization, infectious diseases in colonies, pesticide toxicity, chemical contamination of the hive, and more. Written by an international team of scientists, this book is of primary interest to those whose research or professional activity is directly concerned with the study of bees. It is also intended to provide graduate and post-graduate students with a clear and accessible text covering the main types of modeling approaches that can be used in terrestrial ecology and ecotoxicology.

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 the control of pest and disease vectoring insects such as mosquitoes. Juvenile Hormones and Juvenoids: Modeling Biological Effects and Environmental Fate discusses the various modeling approaches that can be used to study the mechanism of action of JHs in insects and to estimate the adverse effects and the environmental fate of the juvenoids that mimic their activity. This book is the third of the QSAR in Environmental and Health Sciences series, but the first dedicated to the use of QSAR and other in silico techniques to provide these insights into JHs and their analogs. With contributions by an international team of scientists, the book begins with a historical survey of JHs and juvenoids. It then discusses biosynthesis of sesquiterpenoids followed by chapters covering JH activity such as morph-specific JH titers in crickets, and JH analog activity including soldier-specific organ development in termites and the role of methoprene in gene transcription. The book examines modeling approaches applied to resistance to JH analogs, to population dynamics of nontarget species in the presence of juvenoids, and to SAR and QSAR of JH mimics. The book concludes with a discussion on the use of multicriteria analysis for selecting insecticides for vector control.

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 wildlife. Explores Diverse Modeling Techniques and Applications This up-to-date resource focuses on xenobiotics that are accidentally released into the environment with the potential to disturb the normal functioning of the endocrine system of invertebrates and vertebrates but also on the specific agro-chemistry design of chemicals that take control of insect endocrine systems. A comprehensive research reference, Endocrine Disruption Modeling provides a collection of computational strategies to model these structurally diverse chemicals. It concludes with a review of the available e-resources in the field, rounding out the book's task-oriented approach to future EDC discovery. Endocrine Disruption Modeling is the first book in the QSAR in Environmental and Health Sciences series (James Devillers, [email protected]).

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 primary interest to those whose research or professional activity is directly concerned with the development and application of models in ecotoxicology. It is also intended to provide the graduate and post-graduate students with a clear and accessible text covering the main types of modeling approaches used in environmental sciences.

Honey Bees: Estimating the Environmental Impact of Chemicals is an updated account of the different strategies for assessing the ecotoxicity of xenobiotics against these social insects, which play a key role in both ecology and agriculture. In addition to the classical acute laboratory test, semi-field cage tests and full field funnel tests, new tests based mainly on behavioral responses are for the first time clearly described. Information on the direct and indirect effects on honey bees of radionuclides, heavy metals, pesticides, semi-volatile organic compounds and genetically modified plants is also presented.

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 molecules for further evaluation by laboratory tests. Homology modeling is useful to approximate the 3D structure of proteins of interest. Pharmacophore modeling is a powerful means to capture the chemical features responsible for an activity and to identify new potentially active compounds via the virtual screening of databases. Fugacity modeling and a wealth of other modeling paradigms are useful for risk assessment in vector borne disease control.

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 population dynamics as well as to focus on important phenomena detrimental to bee-life history traits. They also allow simulation of how a disease or a pesticide can impact the survival and growth of a bee population. In Silico Bees provides a collection of computational methods to those primarily interested in the study of the ecology, ethology, and ecotoxicology of bees. The book presents different cases studies to enable readers to understand the significance and also the limitations of models in theoretical and applied bee research. The text covers modeling of honey bee society organization, infectious diseases in colonies, pesticide toxicity, chemical contamination of the hive, and more. Written by an international team of scientists, this book is of primary interest to those whose research or professional activity is directly concerned with the study of bees. It is also intended to provide graduate and post-graduate students with a clear and accessible text covering the main types of modeling approaches that can be used in terrestrial ecology and ecotoxicology.

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 the control of pest and disease vectoring insects such as mosquitoes. Juvenile Hormones and Juvenoids: Modeling Biological Effects and Environmental Fate discusses the various modeling approaches that can be used to study the mechanism of action of JHs in insects and to estimate the adverse effects and the environmental fate of the juvenoids that mimic their activity. This book is the third of the QSAR in Environmental and Health Sciences series, but the first dedicated to the use of QSAR and other in silico techniques to provide these insights into JHs and their analogs. With contributions by an international team of scientists, the book begins with a historical survey of JHs and juvenoids. It then discusses biosynthesis of sesquiterpenoids followed by chapters covering JH activity such as morph-specific JH titers in crickets, and JH analog activity including soldier-specific organ development in termites and the role of methoprene in gene transcription. The book examines modeling approaches applied to resistance to JH analogs, to population dynamics of nontarget species in the presence of juvenoids, and to SAR and QSAR of JH mimics. The book concludes with a discussion on the use of multicriteria analysis for selecting insecticides for vector control.

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 wildlife. Explores Diverse Modeling Techniques and Applications This up-to-date resource focuses on xenobiotics that are accidentally released into the environment with the potential to disturb the normal functioning of the endocrine system of invertebrates and vertebrates but also on the specific agro-chemistry design of chemicals that take control of insect endocrine systems. A comprehensive research reference, Endocrine Disruption Modeling provides a collection of computational strategies to model these structurally diverse chemicals. It concludes with a review of the available e-resources in the field, rounding out the book's task-oriented approach to future EDC discovery. Endocrine Disruption Modeling is the first book in the QSAR in Environmental and Health Sciences series (James Devillers, [email protected]).