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Oecd Series On Testing And Assessment Guidance Document On The Validation Of Quantitative Structure Activity Relationship Qsar Models
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Book Synopsis OECD Series on Testing and Assessment Guidance Document on the Validation of (Quantitative) Structure-Activity Relationship [(Q)SAR] Models by : OECD
Download or read book OECD Series on Testing and Assessment Guidance Document on the Validation of (Quantitative) Structure-Activity Relationship [(Q)SAR] Models written by OECD and published by OECD Publishing. This book was released on 2014-09-03 with total page 154 pages. Available in PDF, EPUB and Kindle. Book excerpt: This document presents principles and helpful guides for validating (Q)SAR technology for a variety of applications.
Book Synopsis OECD Series on Testing and Assessment Fundamental And Guiding Principles For (Q)SAR Analysis Of Chemical Carcinogens with Mechanistic Considerations by : OECD
Download or read book OECD Series on Testing and Assessment Fundamental And Guiding Principles For (Q)SAR Analysis Of Chemical Carcinogens with Mechanistic Considerations written by OECD and published by OECD Publishing. This book was released on 2017-04-13 with total page 85 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this document the importance of mechanistic consideration in quantitative structure-activity relationship ((Q)SAR) analysis, the critical role of mechanistic consideration in improving various (Q)SAR approaches and possible integrative approaches of combining chemoinformatics and ...
Book Synopsis Advances in QSAR Modeling by : Kunal Roy
Download or read book Advances in QSAR Modeling written by Kunal Roy and published by Springer. This book was released on 2017-05-22 with total page 555 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis OECD Series on Testing and Assessment Guidance Document 116 on the Conduct and Design of Chronic Toxicity and Carcinogenicity Studies, Supporting Test Guidelines 451, 452 and 453 Second edition by : OECD
Download or read book OECD Series on Testing and Assessment Guidance Document 116 on the Conduct and Design of Chronic Toxicity and Carcinogenicity Studies, Supporting Test Guidelines 451, 452 and 453 Second edition written by OECD and published by OECD Publishing. This book was released on 2014-09-03 with total page 156 pages. Available in PDF, EPUB and Kindle. Book excerpt: This guidance provides additional information on the conduct of studies performed using Test Guidelines 451, 452 and Test Guideline 453.
Book Synopsis OECD Series on Testing and Assessment Guidance Document on the Reporting of Defined Approaches to be Used Within Integrated Approaches to Testing and Assessment by : OECD
Download or read book OECD Series on Testing and Assessment Guidance Document on the Reporting of Defined Approaches to be Used Within Integrated Approaches to Testing and Assessment written by OECD and published by OECD Publishing. This book was released on 2017-04-13 with total page 23 pages. Available in PDF, EPUB and Kindle. Book excerpt: With a view to assisting the evaluation of integrated approaches to testing and assessment (IATA) in regulatory decision-making within OECD Member Countries, this guidance document provides a set of principles for reporting defined approaches to testing and assessment that can be used as one of ...
Book Synopsis OECD Series on Testing and Assessment Guidance on Grouping of Chemicals by : OECD
Download or read book OECD Series on Testing and Assessment Guidance on Grouping of Chemicals written by OECD and published by OECD Publishing. This book was released on 2014-09-03 with total page 99 pages. Available in PDF, EPUB and Kindle. Book excerpt: This guidance document provides guidance for assessing the hazards of chemical substances while gaining efficiencies and improving animal welfare. The approach described in this guidance document is to consider closely related chemicals as a group, or category, rather than as individual chemicals.
Book Synopsis OECD Series on Testing and Assessment Guidance on Grouping of Chemicals, Second Edition by : OECD
Download or read book OECD Series on Testing and Assessment Guidance on Grouping of Chemicals, Second Edition written by OECD and published by OECD Publishing. This book was released on 2017-04-13 with total page 141 pages. Available in PDF, EPUB and Kindle. Book excerpt: This guidance document is part of the OECD effort to provide guidance for assessing the hazards of chemical substances while gaining efficiencies and improving animal welfare. The approach described in this guidance document is to consider closely related chemicals as a group, or category ...
Book Synopsis QSAR in Safety Evaluation and Risk Assessment by : Huixiao Hong
Download or read book QSAR in Safety Evaluation and Risk Assessment written by Huixiao Hong and published by Elsevier. This book was released on 2023-08-12 with total page 566 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Book Synopsis Recent Advances in QSAR Studies by : Tomasz Puzyn
Download or read book Recent Advances in QSAR Studies written by Tomasz Puzyn and published by Springer Science & Business Media. This book was released on 2010-01-19 with total page 428 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents an interdisciplinary overview on the most recent advances in QSAR studies. The first part consists of a comprehensive review of QSAR methodology. The second part highlights the interdisciplinary aspects and new areas of QSAR modelling.
Book Synopsis Exotic Properties of Carbon Nanomatter by : Mihai V. Putz
Download or read book Exotic Properties of Carbon Nanomatter written by Mihai V. Putz and published by Springer. This book was released on 2015-03-07 with total page 394 pages. Available in PDF, EPUB and Kindle. Book excerpt: This title reports the state-of-the-art advancements in modeling and characterization of fundamental and the recently designed carbon based nanocomposites (graphenes, fullerenes, polymers, crystals and allotropic forms). Written by leading experts in the field, the book explores the quantification, indexing, and interpretation of physical and chemical exotic properties related with space-time structure-evolution, phase transitions, chemical reactivity, and topology. Exotic Properties of Carbon Nanomatter is aimed at researchers in academia and industry.
Book Synopsis Ionic Liquids by : Jun-ichi Kadokawa
Download or read book Ionic Liquids written by Jun-ichi Kadokawa and published by BoD – Books on Demand. This book was released on 2013-01-23 with total page 710 pages. Available in PDF, EPUB and Kindle. Book excerpt: Concerns with ionic liquids are one of the most interesting and rapidly developing areas in modern physical chemistry, materials science, technologies, and engineering. Increasing attention has also been paid to the use of ionic liquids in the research fields of biological aspects and natural resources. This book provides the forum for dissemination and exchange of up-to-date scientific information on theoretical, generic, and applied areas of ionic liquids. It, therefore, tends to review recent progresses in ionic liquid research on fundamental properties, solvents and catalysts in organic reactions, biological applications, providing energies and fuels, biomass conversions, functional materials, and other applications. I trust that this book will provide an active source of information for research in ionic liquid science and engineering.
Book Synopsis OECD Series on Testing and Assessment Revised Guidance Document 150 on Standardised Test Guidelines for Evaluating Chemicals for Endocrine Disruption by : OECD
Download or read book OECD Series on Testing and Assessment Revised Guidance Document 150 on Standardised Test Guidelines for Evaluating Chemicals for Endocrine Disruption written by OECD and published by OECD Publishing. This book was released on 2018-09-03 with total page 689 pages. Available in PDF, EPUB and Kindle. Book excerpt: This guidance document was originally published in 2012 and updated in 2018 to reflect new and updated OECD test guidelines, as well as reflect on scientific advances in the use of test methods and assessment of the endocrine activity of chemicals.
Book Synopsis Chemometrics and Cheminformatics in Aquatic Toxicology by : Kunal Roy
Download or read book Chemometrics and Cheminformatics in Aquatic Toxicology written by Kunal Roy and published by John Wiley & Sons. This book was released on 2022-01-06 with total page 596 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Quantitative Structure-Activity Relationships (QSAR) for Pesticide Regulatory Purposes by :
Download or read book Quantitative Structure-Activity Relationships (QSAR) for Pesticide Regulatory Purposes written by and published by Elsevier. This book was released on 2011-10-13 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Book Synopsis Quantum Nanochemistry, Volume Five by : Mihai V. Putz
Download or read book Quantum Nanochemistry, Volume Five written by Mihai V. Putz and published by CRC Press. This book was released on 2016-04-27 with total page 622 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 5 of the 5-volume Quantum Nanochemistry focuses on modeling and predicting of the enzyme kinetics and quantitative structure-activity relationships. It reveals the quantum implications to bio-organic and bio-inorganic systems, to enzyme kinetics, and to pharmacophore binding sites of chemical-biological interaction of molecules through cell membranes in targeting specific bindings modeled by celebrated QSARs (Quantitative Structure-Activity Relationships) here reshaped as Qu-SAR (Quantum Structure-Activity Relationships).
Book Synopsis Ecotoxicology Modeling by : James Devillers
Download or read book Ecotoxicology Modeling written by James Devillers and published by Springer Science & Business Media. This book was released on 2009-08-07 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Practical Aspects of Computational Chemistry by : Jerzy Leszczynski
Download or read book Practical Aspects of Computational Chemistry written by Jerzy Leszczynski and published by Springer Science & Business Media. This book was released on 2009-10-03 with total page 468 pages. Available in PDF, EPUB and Kindle. Book excerpt: "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.
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