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 : 2012-03-26
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 2012-03-26 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 Computers 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
Molecular Descriptors In Qsar Qspr
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Author : Mati Karelson
language : en
Publisher: Wiley-Interscience
Release Date : 2000-02-24
Molecular Descriptors In Qsar Qspr written by Mati Karelson and has been published by Wiley-Interscience this book supported file pdf, txt, epub, kindle and other format this book has been release on 2000-02-24 with Medical categories.
Molecular descriptors are mathematical values that describe the structure or shape of molecules, helping predict the activity and properties of molecules in complex experiments. This book describes the equations known as QSAR (quantitative structure-activity relationships) and QSPR (quantitative structure-property relationships), showing how they can be used productively in a wide range of industries.
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.
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.
Quick Reference Handbook For Surgical Pathologists
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Author : Natasha Rekhtman
language : en
Publisher: Springer Science & Business Media
Release Date : 2011-08-27
Quick Reference Handbook For Surgical Pathologists written by Natasha Rekhtman 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 2011-08-27 with Medical categories.
This book is a compilation of high-yield, at-a-glance summaries for various topics on which pathologists frequently need information in a quick reference format while at the microscope (or when cramming for the boards). The authors are early-career pathologists who have compiled this book from the perspective of pathologists-in-training. The focus is not organ-based histologic criteria, but rather everything else that goes into pathologic diagnoses but is difficult to keep committed to memory. The emphasis is on immunohistochemistry, special stains, grading systems, molecular markers, tumor syndromes, and helpful clinical references. The book has a unique format in that the information is presented primarily in tables and diagrams accompanied by minimal explanatory text. It is intended to serve as a ‘peripheral brain’ for pathology residents and also practicing pathologists, where frequently needed information is readily accessible and easy to navigate.
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.
Bioisosteres In Medicinal Chemistry
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Author : Nathan Brown
language : en
Publisher: John Wiley & Sons
Release Date : 2012-10-15
Bioisosteres In Medicinal Chemistry written by Nathan Brown 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 2012-10-15 with Medical categories.
Written with the practicing medicinal chemist in mind, this is the first modern handbook to systematically address the topic of bioisosterism. As such, it provides a ready reference on the principles and methods of bioisosteric replacement as a key tool in preclinical drug development. The first part provides an overview of bioisosterism, classical bioisosteres and typical molecular interactions that need to be considered, while the second part describes a number of molecular databases as sources of bioisosteric identification and rationalization. The third part covers the four key methodologies for bioisostere identification and replacement: physicochemical properties, topology, shape, and overlays of protein-ligand crystal structures. In the final part, several real-world examples of bioisosterism in drug discovery projects are discussed. With its detailed descriptions of databases, methods and real-life case studies, this is tailor-made for busy industrial researchers with little time for reading, while remaining easily accessible to novice drug developers due to its systematic structure and introductory section.