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Advances In Quantative 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 : 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 238 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 Introduction to Reticular Chemistry by : Omar M. Yaghi
Download or read book Introduction to Reticular Chemistry written by Omar M. Yaghi and published by John Wiley & Sons. This book was released on 2019-03-22 with total page 684 pages. Available in PDF, EPUB and Kindle. Book excerpt: A concise introduction to the chemistry and design principles behind important metal-organic frameworks and related porous materials Reticular chemistry has been applied to synthesize new classes of porous materials that are successfully used for myraid applications in areas such as gas separation, catalysis, energy, and electronics. Introduction to Reticular Chemistry gives an unique overview of the principles of the chemistry behind metal-organic frameworks (MOFs), covalent organic frameworks (COFs), and zeolitic imidazolate frameworks (ZIFs). Written by one of the pioneers in the field, this book covers all important aspects of reticular chemistry, including design and synthesis, properties and characterization, as well as current and future applications Designed to be an accessible resource, the book is written in an easy-to-understand style. It includes an extensive bibliography, and offers figures and videos of crystal structures that are available as an electronic supplement. Introduction to Reticular Chemistry: -Describes the underlying principles and design elements for the synthesis of important metal-organic frameworks (MOFs) and related materials -Discusses both real-life and future applications in various fields, such as clean energy and water adsorption -Offers all graphic material on a companion website -Provides first-hand knowledge by Omar Yaghi, one of the pioneers in the field, and his team. Aimed at graduate students in chemistry, structural chemists, inorganic chemists, organic chemists, catalytic chemists, and others, Introduction to Reticular Chemistry is a groundbreaking book that explores the chemistry principles and applications of MOFs, COFs, and ZIFs.
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.
Author :Management Association, Information Resources Publisher :IGI Global ISBN 13 :1522506381 Total Pages :980 pages Book Rating :4.5/5 (225 download)
Book Synopsis Oncology: Breakthroughs in Research and Practice by : Management Association, Information Resources
Download or read book Oncology: Breakthroughs in Research and Practice written by Management Association, Information Resources and published by IGI Global. This book was released on 2016-06-29 with total page 980 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advancements in cancer diagnosis and treatment have extended the lives of many patients facing numerous types of cancer over the years. Research on best practices, new drug development, early identification, and treatment continues to advance with the ultimate goal of uncovering a cure for cancer in all its forms. Oncology: Breakthroughs in Research and Practice features international perspectives on cancer identification, treatment, and management methodologies in addition to patient considerations and outlooks for the future. This collection of emerging research provides valuable insight for researchers, graduate-level students, and professionals in the medical field.
Book Synopsis Chemoinformatics and Advanced Machine Learning Perspectives: Complex Computational Methods and Collaborative Techniques by : Lodhi, Huma
Download or read book Chemoinformatics and Advanced Machine Learning Perspectives: Complex Computational Methods and Collaborative Techniques written by Lodhi, Huma and published by IGI Global. This book was released on 2010-07-31 with total page 418 pages. Available in PDF, EPUB and Kindle. Book excerpt: "This book is a timely compendium of key elements that are crucial for the study of machine learning in chemoinformatics, giving an overview of current research in machine learning and their applications to chemoinformatics tasks"--Provided by publisher.
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 484 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 Advanced Computer-Assisted Techniques in Drug Discovery by : Han van de Waterbeemd
Download or read book Advanced Computer-Assisted Techniques in Drug Discovery written by Han van de Waterbeemd and published by John Wiley & Sons. This book was released on 2008-09-26 with total page 363 pages. Available in PDF, EPUB and Kindle. Book excerpt: The use of powerful computers has revolutionized molecular design and drug discovery. Thoroughly researched and well-structured, this comprehensive handbook covers highly effective and efficient techniques in 3D-QSAR and advanced statistical analysis. The emphasis is on showing users how to apply these methods and avoid costly and time-consuming methodical errors. Topics covered include * combination of statistical methods and molecular modeling tools * rational use of databases * advanced statistical techniques * neural networks and expert systems in molecular design This book addresses the practitioner in industry and research, as well as the novice wishing to become acquainted with modern tools in medicinal chemistry.
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 Computational Medicinal Chemistry for Drug Discovery by : Patrick Bultinck
Download or read book Computational Medicinal Chemistry for Drug Discovery written by Patrick Bultinck and published by CRC Press. This book was released on 2003-12-17 with total page 829 pages. Available in PDF, EPUB and Kindle. Book excerpt: Observing computational chemistry's proven value to the introduction of new medicines, this reference offers the techniques most frequently utilized by industry and academia for ligand design. Featuring contributions from more than fifty pre-eminent scientists, Computational Medicinal Chemistry for Drug Discovery surveys molecular structure computation, intermolecular behavior, ligand-receptor interaction, and modeling responding to market demands in its selection and authoritative treatment of topics. The book examines molecular mechanics, semi-empirical methods, wave function-based quantum chemistry, density functional theory, 3-D structure generation, and hybrid methods.
Book Synopsis Predicting Chemical Toxicity and Fate by : Mark T.D. Cronin
Download or read book Predicting Chemical Toxicity and Fate written by Mark T.D. Cronin and published by CRC Press. This book was released on 2004-05-10 with total page 474 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantitative Structure-Activity Relationships (QSARs) are increasingly used to predict the harmful effects of chemicals to humans and the environment. The increased use of these methods in a variety of areas (academic, industrial, regulatory) results from a realization that very little toxicological or fate data is available on the vast amount of chemicals to which humans and the environment are exposed. Predicting Chemical Toxicity and Fate provides a comprehensive explanation of the state-of-the-art methods that are available to predict the effects of chemicals on humans and the environment. It describes the use of predictive methods to estimate the physiochemical properties, biological activities, and fate of chemicals. The methods described may be used to predict the properties of drugs before their development, and to predict the environmental effects of chemicals. These methods also reduce the cost of product development and the need for animal testing. This book fills an obvious need by providing a comprehensive explanation of these prediction methods. It is a practical book that illustrates the use of these techniques in real life scenarios. This book will demystify QSARs for those students unsure of them, and professionals in environmental toxicology and chemistry will find this a useful reference in their everyday working lives.
Book Synopsis Molecular Descriptors for Chemoinformatics by : Roberto Todeschini
Download or read book Molecular Descriptors for Chemoinformatics written by Roberto Todeschini and published by John Wiley & Sons. This book was released on 2009-10-30 with total page 1257 pages. Available in PDF, EPUB and Kindle. Book excerpt: The number-one reference on the topic now contains a wealth of new data: The entire relevant literature over the past six years has been painstakingly surveyed, resulting in hundreds of new descriptors being added to the list, and some 3,000 new references in the bibliography section. Volume 1 contains an alphabetical listing of more than 3300 descriptors and related terms for chemoinformatic analysis of chemical compound properties, while the second volume lists over 6,000 references selected from 450 journals. To make the data even more accessible, the introductory section has been completely re-written and now contains several "walk-through" reading lists of selected keywords for novice users.
Author :Management Association, Information Resources Publisher :IGI Global ISBN 13 :1522517634 Total Pages :1584 pages Book Rating :4.5/5 (225 download)
Book Synopsis Pharmaceutical Sciences: Breakthroughs in Research and Practice by : Management Association, Information Resources
Download or read book Pharmaceutical Sciences: Breakthroughs in Research and Practice written by Management Association, Information Resources and published by IGI Global. This book was released on 2016-12-28 with total page 1584 pages. Available in PDF, EPUB and Kindle. Book excerpt: The delivery of optimal pharmaceutical services to patients is a pivotal concern in the healthcare field. By examining current trends and techniques in the industry, processes can be maintained and improved. Pharmaceutical Sciences: Breakthroughs in Research and Practice provides comprehensive coverage of the latest innovations and advancements for pharmaceutical applications. Focusing on emerging drug development techniques and drug delivery for improved health outcomes, this book is ideally designed for medical professionals, pharmacists, researchers, academics, and upper-level students within the growing pharmaceutical industry.
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.
