Handbook Of Molecular Descriptors
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Handbook Of Molecular Descriptors
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Author : Roberto Todeschini
language : en
Publisher: John Wiley & Sons
Release Date : 2008-07-11
Handbook Of Molecular Descriptors written by Roberto Todeschini and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-07-11 with Science categories.
Quantitative studies on structure-activity and structure-property relationships are powerful tools in directed drug research. In recent years, various strategies have been developed to characterize and classify structural patterns by means of molecular descriptors. It has become possible not only to assess diversities or similarities of structure databases, but molecular descriptors also facilitate the identification of potential bioactive molecules from the rapidly increasing number of compound libraries. They even allow for a controlled de-novo design of new lead structures. This is the most comprehensive collection of molecular descriptors and presents a detailed review from the origins of this research field up to present day. This practically oriented reference book gives a thorough overview of the different molecular descriptors representations and their corresponding molecular descriptors. All descriptors are listed with their definition, symbols and labels, formulas, some numerical examples, data and molecular graphs, while numerous figures and tables aid comprehension of the definitions. Cross-references throughout, a list of acronyms and notations allow easy access to the information needed to solve a specific research problem. Examples of descriptor calculations along with tables of descriptor values for a set of selected reference compounds and an up-to-date reference list add to the practical value of the book, making it an invaluable guide for all those dealing with bioactive molecules as well as for researchers.
Molecular Descriptors For Chemoinformatics
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Author : Roberto Todeschini
language : en
Publisher: John Wiley & Sons
Release Date : 2009-10-30
Molecular Descriptors For Chemoinformatics written by Roberto Todeschini and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-10-30 with Science categories.
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.
Statistical Modelling Of Molecular Descriptors In Qsar Qspr
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Author : Matthias Dehmer
language : en
Publisher: John Wiley & Sons
Release Date : 2012-09-13
Statistical Modelling Of Molecular Descriptors In Qsar Qspr written by Matthias Dehmer and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-09-13 with Medical categories.
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.
Handbook Of Chemoinformatics Algorithms
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Author : Jean-Loup Faulon
language : en
Publisher: CRC Press
Release Date : 2010-04-21
Handbook Of Chemoinformatics Algorithms written by Jean-Loup Faulon and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-04-21 with Science categories.
Unlike in the related area of bioinformatics, few books currently exist that document the techniques, tools, and algorithms of chemoinformatics. Bringing together worldwide experts in the field, the Handbook of Chemoinformatics Algorithms provides an overview of the most common chemoinformatics algorithms in a single source.After a historical persp
A Practical Guide To Rational Drug Design
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Author : Sun Hongmao
language : en
Publisher: Woodhead Publishing
Release Date : 2015-10-05
A Practical Guide To Rational Drug Design written by Sun Hongmao and has been published by Woodhead Publishing this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-10-05 with Medical categories.
This book is not going to be an exhaustive survey covering all aspects of rational drug design. Instead, it is going to provide critical know-how through real-world examples. Relevant case studies will be presented and analyzed to illustrate the following: how to optimize a lead compound whether one has high or low levels of structural information; how to derive hits from competitors’ active compounds or from natural ligands of the targets; how to springboard from competitors’ SAR knowledge in lead optimization; how to design a ligand to interfere with protein-protein interactions by correctly examining the PPI interface; how to circumvent IP blockage using data mining; how to construct and fully utilize a knowledge-based molecular descriptor system; how to build a reliable QSAR model by focusing on data quality and proper selection of molecular descriptors and statistical approaches. A Practical Guide to Rational Drug Design focuses on computational drug design, with only basic coverage of biology and chemistry issues, such as assay design, target validation and synthetic routes. Discusses various tactics applicable to daily drug design Readers can download the materials used in the book, including structures, scripts, raw data, protocols, and codes, making this book suitable resource for short courses or workshops Offers a unique viewpoint on drug discovery research due to the author’s cross-discipline education background Explores the author’s rich experiences in both pharmaceutical and academic settings
Recent Advances In Qsar Studies
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Author : Tomasz Puzyn
language : en
Publisher: Springer Science & Business Media
Release Date : 2010-01-19
Recent Advances In Qsar Studies written by Tomasz Puzyn and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-01-19 with Science categories.
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.
Handbook Of Chemoinformatics
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Author : Johann Gasteiger
language : en
Publisher:
Release Date : 2003
Handbook Of Chemoinformatics written by Johann Gasteiger and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2003 with Cheminformatics categories.
"The new discipline of chemoinformatics covers the application of computer-assisted methods to chemical problems such as information storage and retrieval, the prediction of physical, chemical or biological properties of compounds, spectra simulation, structure elucidation, reaction modeling, synthesis planning and drug design. ... this four-volume Handbook contains in-depth contributions from top authors from around the world, with the content organized into chapters dealing with the representation of molecular structures and reactions, data types and databases/data sources, search methods, methods for data analysis as well as applications"--Back cover.
Illustrated Handbook Of Physical Chemical Properties And Environmental Fate For Organic Chemicals
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Author : Donald Mackay
language : en
Publisher: CRC Press
Release Date : 1993-06-24
Illustrated Handbook Of Physical Chemical Properties And Environmental Fate For Organic Chemicals written by Donald Mackay and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1993-06-24 with Science categories.
This comprehensive series focuses on environmental fate prediction and quantitative structure activity relationship analysis.
The Handbook Of Medicinal Chemistry
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Author : Andrew Davis
language : en
Publisher: Royal Society of Chemistry
Release Date : 2015-07-07
The Handbook Of Medicinal Chemistry written by Andrew Davis and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-07-07 with Science categories.
Drug discovery is a constantly developing and expanding area of research. Developed to provide a comprehensive guide, the Handbook of Medicinal Chemistry covers the past, present and future of the entire drug development process. Highlighting the recent successes and failures in drug discovery, the book helps readers to understand the factors governing modern drug discovery from the initial concept through to a marketed medicine. With chapters covering a wide range of topics from drug discovery processes and optimization, development of synthetic routes, pharmaceutical properties and computational biology, the handbook aims to enable medicinal chemists to apply their academic understanding to every aspect of drug discovery. Each chapter includes expert advice to not only provide a rigorous understanding of the principles being discussed, but to provide useful hints and tips gained from within the pharmaceutical industry. This expertise, combined with project case studies, highlighting and discussing all areas of successful projects, make this an essential handbook for all those involved in pharmaceutical development.
Handbook Of Bibliometric Indicators
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Author : Roberto Todeschini
language : en
Publisher: John Wiley & Sons
Release Date : 2016-08-22
Handbook Of Bibliometric Indicators written by Roberto Todeschini and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-08-22 with Language Arts & Disciplines categories.
At last, the first systematic guide to the growing jungle of citation indices and other bibliometric indicators. Written with the aim of providing a complete and unbiased overview of all available statistical measures for scientific productivity, the core of this reference is an alphabetical dictionary of indices and other algorithms used to evaluate the importance and impact of researchers and their institutions. In 150 major articles, the authors describe all indices in strictly mathematical terms without passing judgement on their relative merit. From widely used measures, such as the journal impact factor or the h-index, to highly specialized indices, all indicators currently in use in the sciences and humanities are described, and their application explained. The introductory section and the appendix contain a wealth of valuable supporting information on data sources, tools and techniques for bibliometric and scientometric analysis - for individual researchers as well as their funders and publishers.