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Advanced Computer Assisted Techniques In Drug Discovery Volume 3
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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 Structure-based Ligand Design by : Klaus Gubernator
Download or read book Structure-based Ligand Design written by Klaus Gubernator and published by John Wiley & Sons. This book was released on 2008-11-21 with total page 167 pages. Available in PDF, EPUB and Kindle. Book excerpt: Most drugs bind to a clearly defined macromolecular target that is complementary in terms of structure and chemistry. This observation is the basic paradigm of structure-based ligand design. Although this method first emerged in the 1980s, it has already become a powerful tool for pharmaceutical research. Much has been learned, however, since the first attempts to discover drugs on the basis of available biochemical and structural data. Nowadays, structure-based ligand design is an established method for creating drugs with new structural features, for modifying binding activities and pharmacokinetic properties, and for elucidating binding modes and structure-activity relationships. This volume presents the underlying principles of the approach and highlights real-life applications such as the discovery of HIV-protease inhibitors. It shows that structure-based ligand design has many advantages over other more traditional approaches to designing new drugs, providing it is employed properly and with a thorough knowledge of the pitfalls to avoid. The straightforward presentation and extensive list of references to the original literature as well as numerous color figures illustrating structural relationships make this volume an indispensable tool for every scientist working in the area of drug discovery.
Book Synopsis Chemometric Methods in Molecular Design by : Han van de Waterbeemd
Download or read book Chemometric Methods in Molecular Design written by Han van de Waterbeemd and published by John Wiley & Sons. This book was released on 2008-07-11 with total page 379 pages. Available in PDF, EPUB and Kindle. Book excerpt: The statistical analysis of experimental and theoretical data lies at the heart of modern drug design. This practice-oriented handbook is a comprehensive account of modern chemometric methods in molecular design. It presents strategies for making more rational choices in the planning of syntheses, and describes techniques for analyzing biological and chemical data. Written by the world's experts, it provides in-depth information on * molecular concepts * experimental design in the planning of syntheses * multivariate analysis of chemical and biological data * statistical validation of QSAR results An additional benefit: the book contains a critical survey of commercially available software packages both for statistical analysis as well as for special applications. Industrial and academic researches in medicinal chemistry and organic chemistry will value this book as a useful source of information for their daily work. Also available: Advanced Computer-Assisted Techniques in Drug Discovery, edited by H. van de Waterbeemd
Book Synopsis Combinatorial Chemistry and Technology by : Stanislav Miertus
Download or read book Combinatorial Chemistry and Technology written by Stanislav Miertus and published by CRC Press. This book was released on 1999-07-01 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Provides comprehensive coverage of the current combinatorial methodologies and technologies employed for the design, synthesis, and screening of molecular ""libraries."" Features assessments of computer-assisted approaches to guiding library synthesis. Designed to satisfy the demand to create, produce in high yield and purity, and rapidly screen huge numbers of molecules."
Book Synopsis Molecular Modeling by : Hans-Dieter Höltje
Download or read book Molecular Modeling written by Hans-Dieter Höltje and published by John Wiley & Sons. This book was released on 2008-07-11 with total page 206 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written by experienced experts in molecular modeling, this books describes the basics to the extent that is necessary if one wants to be able to reliably judge the results from molecular modeling calculations. Its main objective is the description of the various pitfalls to be avoided. Without unnecessary overhead it leads the reader from simple calculations on small molecules to the modeling of proteins and other relevant biomolecules. A textbook for beginners as well as an invaluable reference for all those dealing with molecular modeling in their daily work!
Book Synopsis XIVth International Symposium on Medicinal Chemistry by : F. Awouters
Download or read book XIVth International Symposium on Medicinal Chemistry written by F. Awouters and published by Elsevier. This book was released on 1997-09-12 with total page 577 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vaso-occlusive disorders including unstable angina, myocardial infarction, transient ischemic attacks, stroke and peripheral artery disease remain the major sources of morbidity and mortality in western civilization. Platelet activation and resulting platelet aggregation play a major role in the pathogenesis of these thromboembolic diseases. Recognition of the contribution of platelets to the pathophysiology of cardiovascular disease has provided impetus for the continued search for new antiplatelet agents. Hence, over the past two decades many strategies have been evaluated in the search for efficacious mechanisms to reduce platelet function. The medical need for more efficacious antithrombotic drugs and the growing understanding of the role of platelets in vascular injury have catalyzed the extensive evaluation of novel approaches to control platelet function. Along these lines, the volume therefore provides an in-depth assessment of ongoing clinical trials, new and clinically established agents, and other developments in this rapidly developing field.
Book Synopsis The Practice of Medicinal Chemistry by : Camille Georges Wermuth
Download or read book The Practice of Medicinal Chemistry written by Camille Georges Wermuth and published by Elsevier. This book was released on 2003-06-11 with total page 792 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Practice of Medicinal Chemistry, 2E, is a single-volume source on the practical aspects of medicinal chemistry. The successful first edition was nicknamed "The Bible" by medicinal chemists, and the second edition has been updated, expanded and refocused to reflect developments over the last decade. Emphasis is put on how medicinal chemists conduct their search for and design of new drug entities. In contrast to competing books, it focuses on the chemistry rather than pharmacological concepts or descriptions of the various therapeutic classes of drugs. Most medicinal chemists working in the pharmaceutical industry are organic synthetic chemists who must acquire a strong knowledge of medicinal chemistry as they enter the industry. This book aims to be their practical handbook - a complete guide to the drug discovery process. - The only book available dealing with the practical aspects of medicinal chemistry - Serves as a complete guide to the drug discovery process, from conception of the molecules to drug production - Updated chapters devoted to the discovery of new lead compounds, including combinatorial chemistry
Book Synopsis Combinatorial Peptide and Nonpeptide Libraries by : Günther Jung
Download or read book Combinatorial Peptide and Nonpeptide Libraries written by Günther Jung and published by John Wiley & Sons. This book was released on 2008-09-26 with total page 571 pages. Available in PDF, EPUB and Kindle. Book excerpt: With combinatorial chemistry millions of organic compounds can be produced simultaneously, quickly, and in most cases by automated procedures. These compound libraries are a cost-effective resource for the pharmaceutical industry in their search for biologically active lead structures. Furthermore simultaneous parallel synthesis of single peptides and peptide libraries solve the problem of the worldwide increasing demand for peptides. The synthetic methods described here in detail contribute to a forward-looking technology that has a high impact for industrial and academic research. Fast and efficient analytical techniques are essential for using the complicated product mixtures and detecting by-products. Various synthetic approaches and technologies, mass spectrometry, and screening assays are discussed extensively. This book is a must and an indispensible source of information for every researcher in this rapidly developing field, which spans organic synthesis, biochemistry, biotechnology, pharmaceutical, medicinal, and clinical chemistry.
Book Synopsis Lipophilicity in Drug Action and Toxicology by : Vladimir Pliska
Download or read book Lipophilicity in Drug Action and Toxicology written by Vladimir Pliska and published by John Wiley & Sons. This book was released on 2008-09-26 with total page 463 pages. Available in PDF, EPUB and Kindle. Book excerpt: In keeping with the outstanding importance of lipophilicity in biosciences, this volume examines all its facets in more than twenty contributions from leading experts. It offers a thorough and highly topical survey of this rapidly developing field of research. Color plates demonstrating structural aspects, a vast number of references, and the straightforward presentation of the material make this volume a invaluable tool for all researchers involved in drug design or in the investigation of drug action.
Book Synopsis Fundamentals of Molecular Similarity by : Ramon Carbó-Dorca
Download or read book Fundamentals of Molecular Similarity written by Ramon Carbó-Dorca and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 365 pages. Available in PDF, EPUB and Kindle. Book excerpt: In recent years the fundamental concepts and applied methodologies of molecular similarity analysis have experienced a revolutionary development. Motivated by the increased degree of understanding of elementary molecular properties on the levels ranging from fundamental quantum chemistry to the complex interactions of biomolecules, and aided by the spectacular progress in computer technology and access to computer power, the area has opened up to many new ideas and new approaches. This book covers topics in quantum similarity approaches, electron density shape analysis methods, and it provides better theoretical understanding of molecular similarity. Additionally, quantitative shape analysis, especially activity relations (QShAR) and the prediction of the pharmacological or toxicological effects of molecules in the related context of quantum QSAR (QQSAR). This volume written by the experts in the various subfields of molecular similarity, provides a collection of the most recent ideas, advances, and methodologies. It is the hope of the Editors that by representing these topics within a single volume, the readers will find a balanced overview of the status of the field. We also hope that the book will serve as a tool for selecting and assessing the best approach for various new types of problems of molecular similarity that may arise and it will provide a set of easy references for further studies and applications.
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 A Practical Guide to Scientific Data Analysis by : David J. Livingstone
Download or read book A Practical Guide to Scientific Data Analysis written by David J. Livingstone and published by John Wiley & Sons. This book was released on 2009-12-21 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt: Inspired by the author's need for practical guidance in the processes of data analysis, A Practical Guide to Scientific Data Analysis has been written as a statistical companion for the working scientist. This handbook of data analysis with worked examples focuses on the application of mathematical and statistical techniques and the interpretation of their results. Covering the most common statistical methods for examining and exploring relationships in data, the text includes extensive examples from a variety of scientific disciplines. The chapters are organised logically, from planning an experiment, through examining and displaying the data, to constructing quantitative models. Each chapter is intended to stand alone so that casual users can refer to the section that is most appropriate to their problem. Written by a highly qualified and internationally respected author this text: Presents statistics for the non-statistician Explains a variety of methods to extract information from data Describes the application of statistical methods to the design of “performance chemicals” Emphasises the application of statistical techniques and the interpretation of their results Of practical use to chemists, biochemists, pharmacists, biologists and researchers from many other scientific disciplines in both industry and academia.
Book Synopsis Annual Reports in Medicinal Chemistry by : David Robertson
Download or read book Annual Reports in Medicinal Chemistry written by David Robertson and published by Academic Press. This book was released on 1998-10-21 with total page 481 pages. Available in PDF, EPUB and Kindle. Book excerpt: Annual Reports in Medicinal Chemistry provides timely and critical reviews of important topics in medicinal chemistry together with an emphasis on emerging topics in the biological sciences, which are expectedto provide the basis for entirely new future therapies.
Book Synopsis Computational Drug Design by : D. C. Young
Download or read book Computational Drug Design written by D. C. Young and published by John Wiley & Sons. This book was released on 2009-01-28 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: Helps you choose the right computational tools and techniques to meet your drug design goals Computational Drug Design covers all of the major computational drug design techniques in use today, focusing on the process that pharmaceutical chemists employ to design a new drug molecule. The discussions of which computational tools to use and when and how to use them are all based on typical pharmaceutical industry drug design processes. Following an introduction, the book is divided into three parts: Part One, The Drug Design Process, sets forth a variety of design processes suitable for a number of different drug development scenarios and drug targets. The author demonstrates how computational techniques are typically used during the design process, helping readers choose the best computational tools to meet their goals. Part Two, Computational Tools and Techniques, offers a series of chapters, each one dedicated to a single computational technique. Readers discover the strengths and weaknesses of each technique. Moreover, the book tabulates comparative accuracy studies, giving readers an unbiased comparison of all the available techniques. Part Three, Related Topics, addresses new, emerging, and complementary technologies, including bioinformatics, simulations at the cellular and organ level, synthesis route prediction, proteomics, and prodrug approaches. The book's accompanying CD-ROM, a special feature, offers graphics of the molecular structures and dynamic reactions discussed in the book as well as demos from computational drug design software companies. Computational Drug Design is ideal for both students and professionals in drug design, helping them choose and take full advantage of the best computational tools available. Note: CD-ROM/DVD and other supplementary materials are not included as part of eBook file.
Book Synopsis Modern Methods of Drug Discovery by : Alexander Hillisch
Download or read book Modern Methods of Drug Discovery written by Alexander Hillisch and published by Birkhäuser. This book was released on 2012-11-28 with total page 294 pages. Available in PDF, EPUB and Kindle. Book excerpt: Research in the pharmaceutical industry today is in many respects quite different from what it used to be only fifteen years ago. There have been dramatic changes in approaches for identifying new chemical entities with a desired biological activity. While chemical modification of existing leads was the most important approach in the 1970s and 1980s, high-throughput screening and structure-based design are now major players among a multitude of methods used in drug discov ery. Quite often, companies favor one of these relatively new approaches over the other, e.g., screening over rational design, or vice versa, but we believe that an intelligent and concerted use of several or all methods currently available to drug discovery will be more successful in the medium term. What has changed most significantly in the past few years is the time available for identifying new chemical entities. Because of the high costs of drug discovery projects, pressure for maximum success in the shortest possible time is higher than ever. In addition, the multidisciplinary character of the field is much more pronounced today than it used to be. As a consequence, researchers and project managers in the pharmaceutical industry should have a solid knowledge of the more important methods available to drug discovery, because it is the rapidly and intelligently combined use of these which will determine the success or failure of preclinical projects.
Book Synopsis The Structure And Function Of Ryanodine Receptors by : Rebecca Sitsapesan
Download or read book The Structure And Function Of Ryanodine Receptors written by Rebecca Sitsapesan and published by World Scientific. This book was released on 1998-10-16 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides up-to-date information on some of the most important aspects of ryanodine receptor function and has been written by experts in the field. Included are reviews of the latest experimental data, critical assessments of the mechanisms of ryanodine receptor activation and regulation, and the role of the channel in controlling intracellular Ca2+ release.The approach to this subject is new. The book focuses on the biochemical and biophysical aspects of ryanodine receptor research, with particular emphasis on the single channel properties of reconstituted ryanodine receptors.
Book Synopsis Deep Learning in Biomedical and Health Informatics by : M. A. Jabbar
Download or read book Deep Learning in Biomedical and Health Informatics written by M. A. Jabbar and published by CRC Press. This book was released on 2021-09-26 with total page 224 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a proficient guide on the relationship between Artificial Intelligence (AI) and healthcare and how AI is changing all aspects of the healthcare industry. It also covers how deep learning will help in diagnosis and the prediction of disease spread. The editors present a comprehensive review of research applying deep learning in health informatics in the fields of medical imaging, electronic health records, genomics, and sensing, and highlights various challenges in applying deep learning in health care. This book also includes applications and case studies across all areas of AI in healthcare data. The editors also aim to provide new theories, techniques, developments, and applications of deep learning, and to solve emerging problems in healthcare and other domains. This book is intended for computer scientists, biomedical engineers, and healthcare professionals researching and developing deep learning techniques. In short, the volume : Discusses the relationship between AI and healthcare, and how AI is changing the health care industry. Considers uses of deep learning in diagnosis and prediction of disease spread. Presents a comprehensive review of research applying deep learning in health informatics across multiple fields. Highlights challenges in applying deep learning in the field. Promotes research in ddeep llearning application in understanding the biomedical process. Dr.. M.A. Jabbar is a professor and Head of the Department AI&ML, Vardhaman College of Engineering, Hyderabad, Telangana, India. Prof. (Dr.) Ajith Abraham is the Director of Machine Intelligence Research Labs (MIR Labs), Auburn, Washington, USA. Dr.. Onur Dogan is an assistant professor at İzmir Bakırçay University, Turkey. Prof. Dr. Ana Madureira is the Director of The Interdisciplinary Studies Research Center at Instituto Superior de Engenharia do Porto (ISEP), Portugal. Dr.. Sanju Tiwari is a senior researcher at Universidad Autonoma de Tamaulipas, Mexico.
