Quantitative Structure Activity Relationships Qsar For Pesticide Regulatory Purposes

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Quantitative Structure-Activity Relationships (QSAR) for Pesticide Regulatory Purposes

Anonim
Quantitative Structure Activity Relationships QSAR for Pesticide Regulatory Purposes Book PDF

Author : Anonim
Publisher : Elsevier
Page : 533 pages
File Size : 41,5 Mb
Release : 2011-10-13
Category : Science
ISBN : 9780080475325

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Quantitative Structure-Activity Relationships (QSAR) for Pesticide Regulatory Purposes by Anonim Pdf

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. * Assesses the needs of regulators for pesticide approval and how these needs affect QSAR models * Combines theoretical discussion with practical examples, including five worked examples of hybrid systems * Refers to original software available through the internet

QSAR in Safety Evaluation and Risk Assessment

Huixiao Hong
QSAR in Safety Evaluation and Risk Assessment Book PDF

Author : Huixiao Hong
Publisher : Elsevier
Page : 566 pages
File Size : 40,8 Mb
Release : 2023-08-12
Category : Science
ISBN : 9780443153402

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QSAR in Safety Evaluation and Risk Assessment by Huixiao Hong Pdf

QSAR in Safety Evaluation and Risk Assessment provides comprehensive coverage on QSAR methods, tools, data sources, and models focusing on applications in products safety evaluation and chemicals risk assessment. Organized into five parts, the book covers almost all aspects of QSAR modeling and application. Topics in the book include methods of QSAR, from both scientific and regulatory viewpoints; data sources available for facilitating QSAR models development; software tools for QSAR development; and QSAR models developed for assisting safety evaluation and risk assessment. Chapter contributors are authored by a lineup of active scientists in this field. The chapters not only provide professional level technical summarizations but also cover introductory descriptions for all aspects of QSAR for safety evaluation and risk assessment. Provides comprehensive content about the QSAR techniques and models in facilitating the safety evaluation of drugs and consumer products and risk assesment of environmental chemicals Includes some of the most cutting-edge methodologies such as deep learning and machine learning for QSAR Offers detailed procedures of modeling and provides examples of each model's application in real practice

Trace Fossils

William Miller
Trace Fossils Book PDF

Author : William Miller
Publisher : Elsevier Science Limited
Page : 611 pages
File Size : 42,8 Mb
Release : 2007
Category : Science
ISBN : 0444529497

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Trace Fossils by William Miller Pdf

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. * Assesses the needs of regulators for pesticide approval and how these needs affect QSAR models * Combines theoretical discussion with practical examples, including five worked examples of hybrid systems * Refers to original software available through the internet.

Handbook of Analysis of Edible Animal By-Products

Leo M.L. Nollet,Fidel Toldra
Handbook of Analysis of Edible Animal By Products Book PDF

Author : Leo M.L. Nollet,Fidel Toldra
Publisher : CRC Press
Page : 465 pages
File Size : 41,6 Mb
Release : 2011-04-01
Category : Technology & Engineering
ISBN : 9781439803615

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Handbook of Analysis of Edible Animal By-Products by Leo M.L. Nollet,Fidel Toldra Pdf

While muscle foods are the more commonly consumed portion of an animal, animal by-products such as the entrails and internal organs are also widely consumed. This handbook, unique in the world, provides food scientists with a full overview of the tools available for the analysis of these by-products. Known for their superior handbooks on processed meats and poultry, muscle meat, dairy, and seafood, editors Nollet and Todra take the same comprehensive approach. They bring together leading experts who look at the techniques and methodologies for analyzing nutritional and sensory qualities as well as safety, includingthe detection of pathogens and toxins usually found in muscle foods.

Practical Aspects of Computational Chemistry

Jerzy Leszczynski,Manoj Shukla
Practical Aspects of Computational Chemistry Book PDF

Author : Jerzy Leszczynski,Manoj Shukla
Publisher : Springer Science & Business Media
Page : 468 pages
File Size : 45,7 Mb
Release : 2009-10-03
Category : Science
ISBN : 9789048126873

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Practical Aspects of Computational Chemistry by Jerzy Leszczynski,Manoj Shukla Pdf

"Practical Aspects of Computational Chemistry" presents contributions on a range of aspects of Computational Chemistry applied to a variety of research fields. The chapters focus on recent theoretical developments which have been used to investigate structures and properties of large systems with minimal computational resources. Studies include those in the gas phase, various solvents, various aspects of computational multiscale modeling, Monte Carlo simulations, chirality, the multiple minima problem for protein folding, the nature of binding in different species and dihydrogen bonds, carbon nanotubes and hydrogen storage, adsorption and decomposition of organophosphorus compounds, X-ray crystallography, proton transfer, structure-activity relationships, a description of the REACH programs of the European Union for chemical regulatory purposes, reactions of nucleic acid bases with endogenous and exogenous reactive oxygen species and different aspects of nucleic acid bases, base pairs and base tetrads.

Advances in QSAR Modeling

Kunal Roy
Advances in QSAR Modeling Book PDF

Author : Kunal Roy
Publisher : Springer
Page : 555 pages
File Size : 54,7 Mb
Release : 2017-05-22
Category : Science
ISBN : 9783319568508

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Advances in QSAR Modeling by Kunal Roy Pdf

The book covers theoretical background and methodology as well as all current applications of Quantitative Structure-Activity Relationships (QSAR). Written by an international group of recognized researchers, this edited volume discusses applications of QSAR in multiple disciplines such as chemistry, pharmacy, environmental and agricultural sciences addressing data gaps and modern regulatory requirements. Additionally, the applications of QSAR in food science and nanoscience have been included – two areas which have only recently been able to exploit this versatile tool. This timely addition to the series is aimed at graduate students, academics and industrial scientists interested in the latest advances and applications of QSAR.

Chemometrics and Cheminformatics in Aquatic Toxicology

Kunal Roy
Chemometrics and Cheminformatics in Aquatic Toxicology Book PDF

Author : Kunal Roy
Publisher : John Wiley & Sons
Page : 596 pages
File Size : 53,5 Mb
Release : 2022-01-06
Category : Science
ISBN : 9781119681595

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Chemometrics and Cheminformatics in Aquatic Toxicology by Kunal Roy Pdf

CHEMOMETRICS AND CHEMINFORMATICS IN AQUATIC TOXICOLOGY Explore chemometric and cheminformatic techniques and tools in aquatic toxicology Chemometrics and Cheminformatics in Aquatic Toxicology delivers an exploration of the existing and emerging problems of contamination of the aquatic environment through various metal and organic pollutants, including industrial chemicals, pharmaceuticals, cosmetics, biocides, nanomaterials, pesticides, surfactants, dyes, and more. The book discusses different chemometric and cheminformatic tools for non-experts and their application to the analysis and modeling of toxicity data of chemicals to various aquatic organisms. You’ll learn about a variety of aquatic toxicity databases and chemometric software tools and webservers as well as practical examples of model development, including illustrations. You’ll also find case studies and literature reports to round out your understanding of the subject. Finally, you’ll learn about tools and protocols including machine learning, data mining, and QSAR and ligand-based chemical design methods. Readers will also benefit from the inclusion of: A thorough introduction to chemometric and cheminformatic tools and techniques, including machine learning and data mining An exploration of aquatic toxicity databases, chemometric software tools, and webservers Practical examples and case studies to highlight and illustrate the concepts contained within the book A concise treatment of chemometric and cheminformatic tools and their application to the analysis and modeling of toxicity data Perfect for researchers and students in chemistry and the environmental and pharmaceutical sciences, Chemometrics and Cheminformatics in Aquatic Toxicology will also earn a place in the libraries of professionals in the chemical industry and regulators whose work involves chemometrics.

Chemical Warfare Agents

Brian J. Lukey,James A. Romano Jr.,Harry Salem
Chemical Warfare Agents Book PDF

Author : Brian J. Lukey,James A. Romano Jr.,Harry Salem
Publisher : CRC Press
Page : 1197 pages
File Size : 53,5 Mb
Release : 2019-04-11
Category : Medical
ISBN : 9780429631474

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Chemical Warfare Agents by Brian J. Lukey,James A. Romano Jr.,Harry Salem Pdf

The first edition of this book, Chemical Warfare Agents: Toxicity at Low Levels, was published just prior to the terrorist attacks of September 11, 2001. The second edition titled, Chemical Warfare Agents: Pharmacology, Toxicology, and Therapeutics, included new epidemiological and clinical studies of exposed or potentially exposed populations; new treatment concepts and products; improved organization of the national response apparatus addressing the potential for CWA terrorism; and improved diagnostic tests that enable rapid diagnosis and treatment. Since the second edition, the chemical warfare agent community has worked hard to advance research for protection and treatment and develop/improve response approaches for individuals and definitive care. Consequently, in addition to updating previous chapters, Chemical Warfare Agents: Biomedical and Psychological Effects, Medical Countermeasures, and Emergency Response, Third Edition features several new chapters that address the Syrian War, chemical destruction, the Organisation for the Prohibition of Chemical Weapons, biomarkers for chemical warfare agent exposure, field sensors, aircraft decontamination, lung/human on a chip, chemical warfare response decision making, and other research advancements. Features: Describes the newest medical interventions, and the latest technologies deployed in the field, as well as developments in the international response to CW usage highlighting recent events in the Middle East Discusses the latest in organizational/interagency partitioning in terms of responsibilities for emergency response, not just in the United States but at the international level—whether prevention, mitigation, medical care, reclamation, or medico-legal aspects of such response Contains the most current research from bench-level experts The third edition contains the most up-to-date and comprehensive coverage of the question of chemical warfare agent employment on the battlefield or in terrorism. Edited by workers that have been in the field for 35+ years, it remains faithful to the scientific "constants," while evaluating and crediting the advances by the industry that have made us safer.

Computational Toxicology

Sean Ekins
Computational Toxicology Book PDF

Author : Sean Ekins
Publisher : John Wiley & Sons
Page : 432 pages
File Size : 43,8 Mb
Release : 2018-01-15
Category : Science
ISBN : 9781119282587

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Computational Toxicology by Sean Ekins Pdf

A key resource for toxicologists across a broad spectrum of fields, this book offers a comprehensive analysis of molecular modelling approaches and strategies applied to risk assessment for pharmaceutical and environmental chemicals. • Provides a perspective of what is currently achievable with computational toxicology and a view to future developments • Helps readers overcome questions of data sources, curation, treatment, and how to model / interpret critical endpoints that support 21st century hazard assessment • Assembles cutting-edge concepts and leading authors into a unique and powerful single-source reference • Includes in-depth looks at QSAR models, physicochemical drug properties, structure-based drug targeting, chemical mixture assessments, and environmental modeling • Features coverage about consumer product safety assessment and chemical defense along with chapters on open source toxicology and big data

Herbicides and Environment

Andreas Kortekamp
Herbicides and Environment Book PDF

Author : Andreas Kortekamp
Publisher : BoD – Books on Demand
Page : 764 pages
File Size : 54,7 Mb
Release : 2011-01-08
Category : Science
ISBN : 9789533074764

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Herbicides and Environment by Andreas Kortekamp Pdf

Herbicides are much more than just weed killers. They may exhibit beneficial or adverse effects on other organisms. Given their toxicological, environmental but also agricultural relevance, herbicides are an interesting field of activity not only for scientists working in the field of agriculture. It seems that the investigation of herbicide-induced effects on weeds, crop plants, ecosystems, microorganisms, and higher organism requires a multidisciplinary approach. Some important aspects regarding the multisided impacts of herbicides on the living world are highlighted in this book. I am sure that the readers will find a lot of helpful information, even if they are only slightly interested in the topic.

Environmental Concerns and Sustainable Development

Vertika Shukla,Narendra Kumar
Environmental Concerns and Sustainable Development Book PDF

Author : Vertika Shukla,Narendra Kumar
Publisher : Springer
Page : 351 pages
File Size : 42,5 Mb
Release : 2019-07-03
Category : Science
ISBN : 9789811358890

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Environmental Concerns and Sustainable Development by Vertika Shukla,Narendra Kumar Pdf

The prevailing global environmental crisis is primarily because of non-standardized parameters for environmental regulation. Unplanned expansion of economic activities, consideration for environmental conservation and several associated problems are emerging due to degradation in quality of ambient environment such as clean air, safe drinking water and quality of food, particularly in developing nations. Due to poor/casual execution of EIA protocol, newly developing countries are preferred destination for establishing pollution emitting industries, which results in degradation and depletion of natural resources. Lack of environmental policy intervention is another major attraction for establishing such industries in these nations. In order to ensure sustainable development, the highest priority issues include the monitoring and eradication of environmental problems which arise due to economic development. Initiation of any form of economic development primarily results in loss of forests and thus biodiversity, followed by deterioration in quality of air and contamination of natural resources. The worst impact of non-standardized economic development is the contamination of air, water and soil. Sustainable development ensures responsible interface with the environment to minimize the depletion or degradation of natural resources and ensure long term environmental quality. It involves integrated approaches in understanding the importance of environmental management systems and policy inventions leading to improved environmental performance. The present book is proposed to address the environmental concerns associated with economic development and approaches involved to attain sustainable economic development, which include monitoring of the quality of air, deforestation, quality of water resources, soil erosion and degradation of the natural environment.

In Silico Bees

James Devillers
In Silico Bees Book PDF

Author : James Devillers
Publisher : CRC Press
Page : 308 pages
File Size : 45,9 Mb
Release : 2014-01-27
Category : Nature
ISBN : 9781000219012

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In Silico Bees by James Devillers Pdf

Bees are critically important for ecosystem function and biodiversity maintenance through their pollinating activity. This book provides a collection of computational methods to those primarily interested in the study of the ecology, ethology, and ecotoxicology of bees. It presents numerous case studies to enable readers to understand the appropriateness but also the limitations of models in theoretical and applied bee research. Written by an international team of experts, this book covers the main types of modeling approaches that can be used in terrestrial ecology and applied ecotoxicology.

Organic Xenobiotics and Plants

Peter Schröder,Christopher D. Collins
Organic Xenobiotics and Plants Book PDF

Author : Peter Schröder,Christopher D. Collins
Publisher : Springer Science & Business Media
Page : 309 pages
File Size : 41,9 Mb
Release : 2010-11-08
Category : Science
ISBN : 9789048198528

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Organic Xenobiotics and Plants by Peter Schröder,Christopher D. Collins Pdf

Natural and agro-ecosystems are frequently exposed to natural or synthetic substances, which, while they have no direct nutritional value or significance in metabolism, may negatively affect plant functioning. These, xenobiotics, may originate from both natural (fires, volcano eruptions, soil or rock erosion, biodegradation) and anthropogenic (air and soil pollution, herbicides) sources. And, while affected plants have only a limited number of possibilities for avoiding accumulation of these compounds, they do exhibit several enzymatic reactions for detoxification including oxidation, reduction, hydrolysis and conjugation reactions. In agro-ecosystems in particular these mechanisms have great significance in relation to herbicide detoxification and tolerance. In this volume an international group of experts present an overview of the nature and distribution of organic xenobiotics, including their uptake, effects on plant functioning and detoxification mechanisms. The particular significance of glutathione S-transferases in bio-indication and bio-monitoring, and in the detoxification of volatile organic air pollutants and herbicides is evaluated, and their potential significance in phytoremediation and bioaccumulation will be discussed. This volume will be of interest to a wide audience, from graduate students to senior researchers in a wide range of disciplines including plant ecology, plant biochemistry, agriculture and environmental management. It will also be of practical interest to environmentalists, policy makers and resource managers.

Euro-Par 2007 Workshops: Parallel Processing

Luc Bougé,Martti Forsell,Jesper Larsson Träff,Achim Streit,Wolfgang Ziegler,Michael Alexander,Stephen Childs
Euro Par 2007 Workshops Parallel Processing Book PDF

Author : Luc Bougé,Martti Forsell,Jesper Larsson Träff,Achim Streit,Wolfgang Ziegler,Michael Alexander,Stephen Childs
Publisher : Springer
Page : 238 pages
File Size : 40,8 Mb
Release : 2008-03-08
Category : Computers
ISBN : 9783540784746

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Euro-Par 2007 Workshops: Parallel Processing by Luc Bougé,Martti Forsell,Jesper Larsson Träff,Achim Streit,Wolfgang Ziegler,Michael Alexander,Stephen Childs Pdf

Parallelanddistributedprocessing,althoughwithinthefocusofcomputerscience researchforalongtime,isgainingmoreandmoreimportanceinawidespectrum of applications. These proceedings aim to demonstrate the use of parallel and distributed processing concepts in di?erent application ?elds, and attempt to spark interest in novel research directions to advance the embracing model of high-performance computing research in general. The objective of these workshops is to speci?cally address researchers c- ing from university, industry and governmental research organizations and application-oriented companies, in order to close the gap between purely s- enti?c research and the applicability of the research ideas to real-life problems. Euro-Par is an annual series of international conferences dedicated to the promotionandadvancementofallaspectsofparallelanddistributedcomputing. The 2007 event was the 13th issue of the conference. Euro-Par has for a long time been eager to attract colocated events sharing the same goal of promoting the development of parallel and distributed computing, both as an industrial technique and an academic discipline, extending the frontier of both the state of the art and the state of the practice. Since 2006, Euro-Par o?ers researchersthe chance to colocate advanced technical workshops back-to-back with the main conference. This is for a mutual bene?t: the workshops can take advantage of all technical and social facilities which are set up for the conference, so that the organizational tasks are kept to a minimal level; the conference can rely on workshopstoexperimentwithspeci?careasofresearchwhicharenotyetmature enough, or too speci?c, to lead to an o?cial, full-?edged topic at the conference.

Encyclopedia of Ionic Liquids

Suojiang Zhang
Encyclopedia of Ionic Liquids Book PDF

Author : Suojiang Zhang
Publisher : Springer Nature
Page : 1391 pages
File Size : 48,9 Mb
Release : 2023-02-03
Category : Science
ISBN : 9789813342217

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Encyclopedia of Ionic Liquids by Suojiang Zhang Pdf

The encyclopedia consists 13 subareas as follows: 1: Synthesis and Characterisation of Ionic Liquids (Section Editors: Prof. Fu-Wei Li and Prof. Zhen Li) 2: Physicochemical Properties of Ionic Liquids (Section Editors: Asso. Prof. Qing Zhou, Prof. Xingmei Lu and Prof. Xiaoyan Ji) 3: Computational and Theoretical Modeling of Ionic Liquids (Section Editors: Prof. Guang Feng and Prof. Peter T. Cummings) 4: Toxicology and Biodegradation of Ionic Liquids (Section Editors: Prof. Chunxi Li and Prof. Stefan Stolte) 5: Ionic Liquids in Electrochemistry (Section Editors: Prof. Yingying Lu, Prof. Houlong Zhuang and Prof. Chuan Zhao) 6. Ionic Liquids in Organic Reaction (Section Editors: Prof. Liang-Nian He and Prof. Bhalchandra M. Bhanage) 7. Ionic Liquids in Separation (Section Editors: Prof. Huabin Xing) 8. Ionic Liquids in Biomass and Biomolecules (Section Editors: Prof. Toshiyuki Itoh and Prof. Jian Sun) 9. Ionic Liquids in Materials Science (Section Editors: Prof. Sheng Dai and Prof. Tao Wang) 10. Ionic Liquids in Polymer Science (Section Editors: Asso. Prof. Jinming Zhang and Prof. Jun Zhang) 11. Ionic Liquids in Environmental Science (Section Editors: Prof. Tiancheng Mu, Prof. Arunprakash T. Karunanithi and Prof. Yingxiong Wang) 12. Ionic Liquids in Green Chemistry (Section Editors: Prof. Buxing Han and Prof. Peter Licence) 13. Emerging Applications of Ionic Liquids (Pharmacology, Food Science, Agriculture, Nuclear Science Technology, Optics) (Section Editors: Prof. Zhonghao Li and Prof. Maya Guncheva) This encyclopedia is systematic and comprehensive, with detailed descriptions about theory, technology, and industrial applications. This encyclopedia is valuable for students, researchers and industrial players, giving them a quick understanding and overview of ionic liquids in various aspects.