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Quantitative Structure
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Book Synopsis Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment by : Roy, Kunal
Download or read book Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment written by Roy, Kunal and published by IGI Global. This book was released on 2015-02-28 with total page 727 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantitative structure-activity relationships (QSARs) represent predictive models derived from the application of statistical tools correlating biological activity or other properties of chemicals with descriptors representative of molecular structure and/or property. Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment discusses recent advancements in the field of QSARs with special reference to their application in drug development, predictive toxicology, and chemical risk analysis. Focusing on emerging research in the field, this book is an ideal reference source for industry professionals, students, and academicians in the fields of medicinal chemistry and toxicology.
Book Synopsis Quantitative Structure-activity Relationship by : Fatma Kandemirli
Download or read book Quantitative Structure-activity Relationship written by Fatma Kandemirli and published by BoD – Books on Demand. This book was released on 2017-08-30 with total page 90 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book, which is related to QSAR in sciences, is divided into five main chapters. The first chapter is the Introductory chapter. The second chapter aims to provide an update of the recent advances in the field of rational design of PDE inhibitors. The third chapter includes designing a series of peptidic inhibitors that possessed a substrate transition-state analog and evaluating the structure-activity relationship of the designed inhibitors, based on docking and scoring, using the docking simulation software Molecular Operating Environment. The aim of the forth chapter is to develop structure-property relationships for the qualitative and quantitative prediction of the reverse-phase liquid chromatographic retention times of chlorogenic acids. The final chapter aims to determine the model of interactions between the natural compounds with anti-inflammatory molecular target by molecular docking analysis.
Book Synopsis Statistical Modelling of Molecular Descriptors in QSAR/QSPR by : Matthias Dehmer
Download or read book Statistical Modelling of Molecular Descriptors in QSAR/QSPR written by Matthias Dehmer and published by John Wiley & Sons. This book was released on 2012-09-13 with total page 437 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook and ready reference presents a combination of statistical, information-theoretic, and data analysis methods to meet the challenge of designing empirical models involving molecular descriptors within bioinformatics. The topics range from investigating information processing in chemical and biological networks to studying statistical and information-theoretic techniques for analyzing chemical structures to employing data analysis and machine learning techniques for QSAR/QSPR. The high-profile international author and editor team ensures excellent coverage of the topic, making this a must-have for everyone working in chemoinformatics and structure-oriented drug design.
Book Synopsis Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment by : Kunal Roy
Download or read book Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment written by Kunal Roy and published by Academic Press. This book was released on 2015-03-03 with total page 494 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment describes the historical evolution of quantitative structure-activity relationship (QSAR) approaches and their fundamental principles. This book includes clear, introductory coverage of the statistical methods applied in QSAR and new QSAR techniques, such as HQSAR and G-QSAR. Containing real-world examples that illustrate important methodologies, this book identifies QSAR as a valuable tool for many different applications, including drug discovery, predictive toxicology and risk assessment. Written in a straightforward and engaging manner, this is the ideal resource for all those looking for general and practical knowledge of QSAR methods. - Includes numerous practical examples related to QSAR methods and applications - Follows the Organization for Economic Co-operation and Development principles for QSAR model development - Discusses related techniques such as structure-based design and the combination of structure- and ligand-based design tools
Book Synopsis Quantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens by : Romualdo Benigni
Download or read book Quantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens written by Romualdo Benigni and published by CRC Press. This book was released on 2003-02-26 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applied with success in a number of areas, QSAR studies have become particularly popular in the rational design of drugs and pesticides. Much has been published on the principles of QSAR in this area, but not on their application s to toxic chemicals. This book provides the first comprehensive, interdisciplinary presentation of QSAR studies on
Book Synopsis Quantitative Structure by : Roman Kaliszan
Download or read book Quantitative Structure written by Roman Kaliszan and published by Wiley-Interscience. This book was released on 1987-10-14 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: The use of computers in numerical characterization of molecular structures has given chemists fundamentally new information on chemical structures, leading to major developments in physical, analytical, and medicinal chemistry. This book, written by a pioneer in the field, extends and updates research on quantitative structure retention relationships (QSRR) by consolidating and critically reviewing the extensive literature on the subject while providing basic theoretical and practical information required in all investigations involving chromatography, analytical chemistry, biochemistry, and pharmaceutical research. Coverage includes detailed discussions of the general theories and mechanisms of chromatographic separations, prediction of retention coefficients, statistical techniques and formal requirements of QSRR studies, specific applications of chromatographic data, and much more. Also provides several carefully selected figures and tables plus extensive bibliographies.
Book Synopsis Quantitative Structure Activity Relationships of Analgesics, Narcotic Antagonists, and Hallucinogens by : Gene Barnett
Download or read book Quantitative Structure Activity Relationships of Analgesics, Narcotic Antagonists, and Hallucinogens written by Gene Barnett and published by . This book was released on 1978 with total page 508 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Quantitative Structure-Activity Relationships of Drugs by : John Topliss
Download or read book Quantitative Structure-Activity Relationships of Drugs written by John Topliss and published by Elsevier. This book was released on 2012-12-02 with total page 535 pages. Available in PDF, EPUB and Kindle. Book excerpt: Medicinal Chemistry, Volume 19: Quantitative Structure-Activity Relationships of Drugs is a critical review of the applications of various quantitative structure-activity relationship (QSAR) methodologies in different drug therapeutic areas and discusses the results in terms of their contribution to medicinal chemistry. After briefly describing the developments in QSAR research, this 12-chapter volume goes on discussing the contributions of QSAR methodology in elucidating drug action and rational development of drugs against bacterial, fungal, viral, and other parasitic infections of man. Other chapters explore the mode of action and QSAR of antitumor, cardiovascular, antiallergic, antiulcer, antiarthritic, and nonsteroidal antiinflammatory drugs (NSAID) agents. The discussion then shifts to the pharmacologic effects and QSAR analysis of central nervous system agents, steroids, and other hormones. A chapter examines the major chemicals affecting insects and mites, with particular emphasis on the parameters of binding correlation and reactivity for insect and mite enzymes. The concluding chapters cover the limitations of the QSAR approach in the quantitative treatment of drug absorption, distribution, and metabolism. This volume is of great value to medicinal chemists, scientists, and researchers.
Book Synopsis Practical Applications of Quantitative Structure-Activity Relationships (QSAR) in Environmental Chemistry and Toxicology by : W. Karcher
Download or read book Practical Applications of Quantitative Structure-Activity Relationships (QSAR) in Environmental Chemistry and Toxicology written by W. Karcher and published by Springer Science & Business Media. This book was released on 1990-05-31 with total page 506 pages. Available in PDF, EPUB and Kindle. Book excerpt: Based on the Lectures given during the Eurocourse on `Practical Applications of Quantitative Structure-Activity (QSAR) in Environmental Chemistry and Toxicology' held at the Joint Research Centre Ispra, Italy, June 11--15, 1990
Book Synopsis QuaSAR, Quantitative Structure Activity Relationships of Analgesics, Narcotic Antagonists, and Hallucinogens by :
Download or read book QuaSAR, Quantitative Structure Activity Relationships of Analgesics, Narcotic Antagonists, and Hallucinogens written by and published by . This book was released on 1978 with total page 508 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis A Primer on QSAR/QSPR Modeling by : Kunal Roy
Download or read book A Primer on QSAR/QSPR Modeling written by Kunal Roy and published by Springer. This book was released on 2015-04-11 with total page 129 pages. Available in PDF, EPUB and Kindle. Book excerpt: This brief goes back to basics and describes the Quantitative structure-activity/property relationships (QSARs/QSPRs) that represent predictive models derived from the application of statistical tools correlating biological activity (including therapeutic and toxic) and properties of chemicals (drugs/toxicants/environmental pollutants) with descriptors representative of molecular structure and/or properties. It explains how the sub-discipline of Cheminformatics is used for many applications such as risk assessment, toxicity prediction, property prediction and regulatory decisions apart from drug discovery and lead optimization. The authors also present, in basic terms, how QSARs and related chemometric tools are extensively involved in medicinal chemistry, environmental chemistry and agricultural chemistry for ranking of potential compounds and prioritizing experiments. At present, there is no standard or introductory publication available that introduces this important topic to students of chemistry and pharmacy. With this in mind, the authors have carefully compiled this brief in order to provide a thorough and painless introduction to the fundamental concepts of QSAR/QSPR modelling. The brief is aimed at novice readers.
Book Synopsis The Quantitative Analysis of the Dynamics and Structure of Terminologies by : Kyo Kageura
Download or read book The Quantitative Analysis of the Dynamics and Structure of Terminologies written by Kyo Kageura and published by John Benjamins Publishing. This book was released on 2012-12-11 with total page 265 pages. Available in PDF, EPUB and Kindle. Book excerpt: The dynamics and systematicity of terminology: this book addresses these essential and intriguing aspects of terminology, by using quantitative methodologies which have been underutilized in the field to date. Through the analysis of the Japanese terminologies of six domains and with special reference to the dynamic behaviour and the status of borrowed and native morphemes, the book reveals: (a) how borrowed and native morphemes contribute to the construction of these terminologies, and how these contributions are likely to change as the terminologies grow; (b) how borrowed and native morphemes contribute to the systematicity or systematic representation of conceptual systems; and (c) how borrowed and native morphemes are related to each other and to what extent they are mixed in constructing terminologies. It also examines the epistemological implications of applying these quantitative methodologies, which leads back to such essential questions as the relationship between terminology as a whole and individual terms and what we understand terms to be when we talk about the growth of terminologies. The book should be of interest to a wide audience, including theoretical terminologists, terminographers, quantitative linguists, computational linguists, lexicologists and lexicographers.
Book Synopsis Quantitative Analysis of Questionnaires by : Steve Humble
Download or read book Quantitative Analysis of Questionnaires written by Steve Humble and published by Routledge. This book was released on 2020-01-08 with total page 227 pages. Available in PDF, EPUB and Kindle. Book excerpt: Bringing together the techniques required to understand, interpret and quantify the processes involved when exploring structures and relationships in questionnaire data, Quantitative Analysis of Questionnaires provides the knowledge and capability for a greater understanding of choice decisions. The ideal companion for non-mathematical students with no prior knowledge of quantitative methods, it highlights how to uncover and explore what lies within data that cannot be achieved through descriptive statistics. This book introduces significance testing, contingency tables, correlations, factor analysis (exploratory and confirmatory), regression (linear and logistic), discrete choice theory and item response theory. Using simple and clear methodology, and rich examples from a range of settings, this book: provides hands-on analysis with data sets from both SPSS and Stata packages; explores how to articulate the calculations and theory around statistical techniques; offers workable examples in each chapter with concepts, applications and proofs to help produce a higher quality of research outputs; discusses the use of formulas in the appendix for those who wish to explore a greater mathematical understanding of the concepts. Quantitative Analysis of Questionnaires is the ideal introductory textbook for any student looking to begin and or improve statistical learning as well as interpretation.
Book Synopsis Latent Variable and Latent Structure Models by : George A. Marcoulides
Download or read book Latent Variable and Latent Structure Models written by George A. Marcoulides and published by Psychology Press. This book was released on 2014-04-04 with total page 331 pages. Available in PDF, EPUB and Kindle. Book excerpt: This edited volume features cutting-edge topics from the leading researchers in the areas of latent variable modeling. Content highlights include coverage of approaches dealing with missing values, semi-parametric estimation, robust analysis, hierarchical data, factor scores, multi-group analysis, and model testing. New methodological topics are illustrated with real applications. The material presented brings together two traditions: psychometrics and structural equation modeling. Latent Variable and Latent Structure Models' thought-provoking chapters from the leading researchers in the area will help to stimulate ideas for further research for many years to come. This volume will be of interest to researchers and practitioners from a wide variety of disciplines, including biology, business, economics, education, medicine, psychology, sociology, and other social and behavioral sciences. A working knowledge of basic multivariate statistics and measurement theory is assumed.
Book Synopsis Quantitative Geochemistry by : Haibo Zou
Download or read book Quantitative Geochemistry written by Haibo Zou and published by Imperial College Press. This book was released on 2007 with total page 305 pages. Available in PDF, EPUB and Kindle. Book excerpt: "This book presents quantitative treatments of a wide range of fundamental problems related to geochemistry and geology. It shows that trace elements, isotopes, and equations are integrative tools in modern geochemistry for studying various Earth processes." -- Back cover.
Book Synopsis Quantitative Drug Design by : Yvonne C. Martin
Download or read book Quantitative Drug Design written by Yvonne C. Martin and published by CRC Press. This book was released on 2010-05-06 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since the publication of the first edition, the field has changed dramatically. Scientists can now explicitly consider 3D features in quantitative structure-activity relationship (QSAR) studies and often have the 3D structure of the macromolecular target to guide the 3D QSAR. Improvements in computer hardware and software have also made the methods
Book Synopsis Drug Design Strategies by : David J. Livingstone
Download or read book Drug Design Strategies written by David J. Livingstone and published by Royal Society of Chemistry. This book was released on 2012 with total page 517 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book brings together drug design practitioners, all leaders in their field, who are actively advancing the field of quantitative methods to guide drug discovery, from structure-based design to empirical statistical models - from rule-based approaches to toxicology to the fields of bioinformatics and systems biology. The aim of the book is to show how various facets of the drug discovery process can be addressed in a quantitative fashion (ie: numerical analysis to enable robust predictions to be made). Each chapter includes a brief review of the topic showing the historical development of.
