Handbook Of Chemoinformatics
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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 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.
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.
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.
Handbook Of Chemoinformatics
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Author :
language : en
Publisher:
Release Date : 2003
Handbook Of Chemoinformatics written by 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.
Chemoinformatics For Drug Discovery
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Author : Jürgen Bajorath
language : en
Publisher: John Wiley & Sons
Release Date : 2013-09-25
Chemoinformatics For Drug Discovery written by Jürgen Bajorath 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 2013-09-25 with Science categories.
Chemoinformatics strategies to improve drug discovery results With contributions from leading researchers in academia and the pharmaceutical industry as well as experts from the software industry, this book explains how chemoinformatics enhances drug discovery and pharmaceutical research efforts, describing what works and what doesn't. Strong emphasis is put on tested and proven practical applications, with plenty of case studies detailing the development and implementation of chemoinformatics methods to support successful drug discovery efforts. Many of these case studies depict groundbreaking collaborations between academia and the pharmaceutical industry. Chemoinformatics for Drug Discovery is logically organized, offering readers a solid base in methods and models and advancing to drug discovery applications and the design of chemoinformatics infrastructures. The book features 15 chapters, including: What are our models really telling us? A practical tutorial on avoiding common mistakes when building predictive models Exploration of structure-activity relationships and transfer of key elements in lead optimization Collaborations between academia and pharma Applications of chemoinformatics in pharmaceutical research experiences at large international pharmaceutical companies Lessons learned from 30 years of developing successful integrated chemoinformatic systems Throughout the book, the authors present chemoinformatics strategies and methods that have been proven to work in pharmaceutical research, offering insights culled from their own investigations. Each chapter is extensively referenced with citations to original research reports and reviews. Integrating chemistry, computer science, and drug discovery, Chemoinformatics for Drug Discovery encapsulates the field as it stands today and opens the door to further advances.
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.
Chemoinformatics And Bioinformatics In The Pharmaceutical Sciences
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Author : Navneet Sharma
language : en
Publisher: Elsevier
Release Date : 2021-05-21
Chemoinformatics And Bioinformatics In The Pharmaceutical Sciences written by Navneet Sharma and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-05-21 with Business & Economics categories.
Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences brings together two very important fields in pharmaceutical sciences that have been mostly seen as diverging from each other: chemoinformatics and bioinformatics. As developing drugs is an expensive and lengthy process, technology can improve the cost, efficiency and speed at which new drugs can be discovered and tested. This book presents some of the growing advancements of technology in the field of drug development and how the computational approaches explained here can reduce the financial and experimental burden of the drug discovery process. This book will be useful to pharmaceutical science researchers and students who need basic knowledge of computational techniques relevant to their projects. Bioscientists, bioinformaticians, computational scientists, and other stakeholders from industry and academia will also find this book helpful. Provides practical information on how to choose and use appropriate computational tools Presents the wide, intersecting fields of chemo-bio-informatics in an easily-accessible format Explores the fundamentals of the emerging field of chemoinformatics and bioinformatics
Chemoinformatics And Advanced Machine Learning Perspectives Complex Computational Methods And Collaborative Techniques
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Author : Lodhi, Huma
language : en
Publisher: IGI Global
Release Date : 2010-07-31
Chemoinformatics And Advanced Machine Learning Perspectives Complex Computational Methods And Collaborative Techniques written by Lodhi, Huma and has been published by IGI Global this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-07-31 with Computers categories.
"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.
Handbook Of Drug Screening
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Author : Ramakrishna Seethala
language : en
Publisher: CRC Press
Release Date : 2001-07-24
Handbook Of Drug Screening written by Ramakrishna Seethala and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2001-07-24 with Medical categories.
A presentation of screening techniques, modern technologies, and high-capacity instrumentation for increased productivity in the development and discovery of new drugs, chemical compounds, and targeted delivery of pharmaceuticals. It contains practical applications and examples of strategies in cell-based and cell-free screens as well as homogeneous, fluorescence, chemiluminescence, and radioactive-based technologies.