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Advances In Quantitative Structure Property Relationships
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Book Synopsis Advances in Quantitative Structure-Property Relationships by : Marvin Charton
Download or read book Advances in Quantitative Structure-Property Relationships written by Marvin Charton and published by Jai Press. This book was released on 1999 with total page 257 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantitative structure property relationships (QSPR) have become a major method of chemical research. In the course of this development the field has suffered from fragmentation. Applications of QSPR are found in all major chemical disciplines including physical organic, physical, medicinal, agricultural, biological, enviromental, and polymer chemistry. Frequently workers in one area are unaware of parameterizations and models used in other ares which they might well find useful. The is a common thread which runs through these widely diverse areas. The basic principles, parameterizations and methodology are the same or similar throughout. The object of this series is to provide interesting and timely reviews covering all aspects of the field. It encourages the transfer of new methods, techniques, and parameterizations from the area in which they were developed to other areas that can make good use of them. In view of the widespread use of QSPR we believe that this is an important objective. This series will provide the cross-fertilization which is sorely needed.
Book Synopsis Advances in Quantitative Structure-property Relationships by : Marvin Charton
Download or read book Advances in Quantitative Structure-property Relationships written by Marvin Charton and published by . This book was released on 1996 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Advances in Quantitative Structure-Property Relationships by : M. Charton
Download or read book Advances in Quantitative Structure-Property Relationships written by M. Charton and published by JAI Press. This book was released on 1996-04-23 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Advances in Quantative Structure - Property Relationships by : Marvin Charton
Download or read book Advances in Quantative Structure - Property Relationships written by Marvin Charton and published by Elsevier. This book was released on 2002-12-16 with total page 239 pages. Available in PDF, EPUB and Kindle. Book excerpt: The object of this series is to provide interesting and timely reviews covering all aspects of the field. It is our hope that this will encourage the transfer of new methods, techniques, and parameterizations from the field in which they were developed to other areas that can make good use of them.·Quantitative Structure Property Relationships (QSPR) have developed into a major method of chemical research in many scientific disciplines·Provides much needed cross fertilization between disciplines researching QSPR
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 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 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 Mathematical Chemistry and Chemoinformatics by : Adalbert Kerber
Download or read book Mathematical Chemistry and Chemoinformatics written by Adalbert Kerber and published by Walter de Gruyter. This book was released on 2013-12-12 with total page 521 pages. Available in PDF, EPUB and Kindle. Book excerpt: More than 20 years of experience in molecular structure generation, from conceptualization through to applications Innovative, interdisciplinary text demonstrating example queries with software packages such as MOLGEN-online Detailed explanations on establishing QSPRs and QSARs as well as structure elucidation using mass spectrometry and structure generation. Aims and Scope This work provides an introduction to mathematical modeling of molecules and the resulting applications (structure generation, structure elucidation, QSAR/QSPR etc.). Most chemists have experimented with some software that represents molecules in an electronic form, and such models and applications are of increasing interest in diverse and growing fields such as drug discovery, environmental science and metabolomics. Furthermore, structure generation remains the only way to systematically create molecules that are not (yet) present in a database. This book starts with the mathematical theory behind representing molecules, explaining chemical concepts in mathematical terms and providing exercises that can be completed online. The later chapters cover applications of the theory, with detailed explanations on QSPR and QSAR investigations and finally structure elucidation combining mass spectrometry and structure generation. This book is aimed in particular at the users of structure generation methods and corresponding techniques, but also for those interested in teaching and learning mathematical chemistry, and for software designers in chemoinformatics.
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 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 Quantitative Structure-property Relationships in Large Descriptor Spaces by : Victor Lobanov
Download or read book Quantitative Structure-property Relationships in Large Descriptor Spaces written by Victor Lobanov and published by . This book was released on 1995 with total page 35 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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 The Chemistry of Cyclobutanes by : Zvi Rappoport
Download or read book The Chemistry of Cyclobutanes written by Zvi Rappoport and published by John Wiley & Sons. This book was released on 2005-07-08 with total page 1266 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Chemistry of Cyclobutanes provides an in depth and comprehensive review of cyclobutanes and includes chapters on the theoretical and computational foundations; on analytical and spectroscopical aspects with dedicated chapters on Mass Spectrometry, NMR and IR/UV. There are also extensive application examples enabling the reader to collect both a theoretical and practical understanding. The Chemistry of Functional Groups Series was originally founded by Saul Patai (1918-1998) and in the 39 years of publishing has produced more than 100 volumes, providing outstanding reviews on all aspects of functional groups including analytical, physical and synthetic and applied chemistry. Saul Patai has been helped by outstanding editors, especially Zvi Rappoport who has now taken responsibility for the series to continue the tradition of producing high quality reviews with editors such as Y. Apeloig, I. Marek and J. Liebman.
Book Synopsis Advances in Chromatography by : Nelu Grinberg
Download or read book Advances in Chromatography written by Nelu Grinberg and published by CRC Press. This book was released on 2017-08-15 with total page 158 pages. Available in PDF, EPUB and Kindle. Book excerpt: For more than five decades, scientists and researchers have relied on the Advances in Chromatography series for the most up-to-date information on a wide range of developments in chromatographic methods and applications. For Volume 54, the series editors have invited established, well-known chemists to offer cutting-edge reviews of chromatographic methods applied in the life sciences that emphasize the underlying principle of separation science. The clear presentation of topics and vivid illustrations for which this series has become known makes the material accessible and engaging to analytical, biochemical, organic, polymer, and pharmaceutical chemists at all levels of technical skill.
Book Synopsis Advances in Chromatography, Volume 51 by : Eli Grushka
Download or read book Advances in Chromatography, Volume 51 written by Eli Grushka and published by CRC Press. This book was released on 2016-04-19 with total page 325 pages. Available in PDF, EPUB and Kindle. Book excerpt: For more than four decades, scientists and researchers have relied on the Advances in Chromatography series for the most up-to-date information on a wide range of developments in chromatographic methods and applications. For Volume 51, the series editors have invited established, well-known chemists from across the globe to offer cutting-edge revie
Book Synopsis Advanced Pharmaceutics by : Cherng-ju Kim
Download or read book Advanced Pharmaceutics written by Cherng-ju Kim and published by CRC Press. This book was released on 2004-03-17 with total page 772 pages. Available in PDF, EPUB and Kindle. Book excerpt: Discussing a comprehensive range of topics, Advanced Pharmaceutics: Physicochemical Principles reviews all aspects of physical pharmacy. The book explains the basic, mechanistic, and quantitative interpretation skills needed to solve physical pharmacy related problems. The author supplies a strong fundamental background and extensively covers therm
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.
