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Functional Informatics In Drug Discovery

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Functional Informatics In Drug Discovery

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Author : Sergey Ilyin
language : en
Publisher: CRC Press
Release Date : 2007-08-27

Functional Informatics In Drug Discovery written by Sergey Ilyin and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-08-27 with Medical categories.

Integrating various technologies with informational systems provides vast improvements to the overall research and development that occur in the biopharmaceutical industry. One of the first books to explore this area, Functional Informatics in Drug Discovery examines all aspects of technology integration and information flow in a biopharmaceutical

Cadd And Informatics In Drug Discovery

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Author : Mithun Rudrapal
language : en
Publisher: Springer Nature
Release Date : 2023-05-12

Cadd And Informatics In Drug Discovery written by Mithun Rudrapal and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-05-12 with Science categories.

This book updates knowledge on recent advances in computational, biophysical and bioinformatics tools/techniques and their practical applications in modern drug design and discovery paradigm. It also encompasses fundamental principles, advanced methodologies and applications of various CADD approaches including several cutting-edge areas; presenting recent developments covering ongoing trends in the field of computer-aided drug discovery. Having contributions by a global team of experts, the book is expected to be an ideal resource for drug discovery scientists, medicinal chemists, pharmacologists, toxicologists, phytochemists, biochemists, biologists, R&D personnel, researchers, students, teachers and those working in the field of drug discovery. It will fill the knowledge gaps that exist in the current CADD approaches and methodologies/ protocols being widely used in both academic and research practices. Further, a special focus on current status of various computational drug design approaches (SBDD, LBDD, de novo drug design, pharmacophore-based search), bioinformatics tools and databases, computational screening and modeling of phytochemicals/natural products, artificial intelligence and machine learning, and network pharmacology and systems biology would certainly guide researchers, students or readers to conduct their research in the emerging area(s) of interest. It is also expected to be highly beneficial to various stakeholders working in the pharmaceutical and biotechnology industries (R&D), the academic as well as research sectors.

Chemoinformatics

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Author : Jürgen Bajorath
language : en
Publisher: Springer Science & Business Media
Release Date : 2008-02-04

Chemoinformatics written by Jürgen Bajorath 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 2008-02-04 with Medical categories.

In the literature, several terms are used synonymously to name the topic of this book: chem-, chemi-, or chemo-informatics. A widely recognized de- nition of this discipline is the one by Frank Brown from 1998 (1) who defined chemoinformatics as the combination of “all the information resources that a scientist needs to optimize the properties of a ligand to become a drug. ” In Brown’s definition, two aspects play a fundamentally important role: de- sion support by computational means and drug discovery, which distinguishes it from the term “chemical informatics” that was introduced at least ten years earlier and described as the application of information technology to ch- istry (not with a specific focus on drug discovery). In addition, there is of course “chemometrics,” which is generally understood as the application of statistical methods to chemical data and the derivation of relevant statistical models and descriptors (2). The pharmaceutical focus of many developments and efforts in this area—and the current popularity of gene-to-drug or si- lar paradigms—is further reflected by the recent introduction of such terms as “discovery informatics” (3), which takes into account that gaining kno- edge from chemical data alone is not sufficient to be ultimately successful in drug discovery. Such insights are well in accord with other views that the boundaries between bio- and chemoinformatics are fluid and that these d- ciplines should be closely combined or merged to significantly impact b- technology or pharmaceutical research (4).

Quantitative Molecular Pharmacology And Informatics In Drug Discovery

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Author : Michael Lutz
language : en
Publisher: John Wiley & Sons
Release Date : 2000-01-10

Quantitative Molecular Pharmacology And Informatics In Drug Discovery written by Michael Lutz 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 2000-01-10 with Medical categories.

Quantitative Molecular Pharmacology and Informatics in Drug Discovery Michael Lutz, Section Head, Cheminformatics Group and Terry Kenakin, Principal Research Scientist, Glaxo Wellcome Research and Development, Research Triangle Park, NC, USA Quantitative Molecular Pharmacology and Informatics in Drug Discovery combines pharmacology, genetics and statistics to provide a complete guide to the modern drug discovery process. The book discusses the pharmacology of drug testing and provides a detailed description of the statistical methods used to analyze the resulting data. Application of genetic and genomic tools for identification of biological targets is reviewed in the context of drug discovery projects. Covering both the theoretical principles upon which the techniques are based and the practicalities of drug discovery, this informative guide. * outlines in step-by-step detail the advantages and disadvantages of each technology and approach and links these to the type of chemical target being sought after in the drug discovery process; and, * provides excellent demonstrations of how to use powerful pharmacological and statistical tools to optimize high-throughput screening assays. Written by two internationally known and well-regarded experts, this book is an essential reference for research and development scientists working in the pharmaceutical and biotechnology industries. It will also be useful for postgraduates studying pharmacology and applied statistics.

Concepts And Experimental Protocols Of Modelling And Informatics In Drug Design

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Author : Om Silakari
language : en
Publisher: Academic Press
Release Date : 2020-11-05

Concepts And Experimental Protocols Of Modelling And Informatics In Drug Design written by Om Silakari and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-11-05 with Medical categories.

Concepts and Experimental Protocols of Modelling and Informatics in Drug Design discusses each experimental protocol utilized in the field of bioinformatics, focusing especially on computer modeling for drug development. It helps the user in understanding the field of computer-aided molecular modeling (CAMM) by presenting solved exercises and examples. The book discusses topics such as fundamentals of molecular modeling, QSAR model generation, protein databases and how to use them to select and analyze protein structure, and pharmacophore modeling for drug targets. Additionally, it discusses data retrieval system, molecular surfaces, and freeware and online servers. The book is a valuable source for graduate students and researchers on bioinformatics, molecular modeling, biotechnology and several members of biomedical field who need to understand more about computer-aided molecular modeling. Presents exercises with solutions to aid readers in validating their own protocol Brings a thorough interpretation of results of each exercise to help readers compare them to their own study Explains each parameter utilized in the algorithms to help readers understand and manipulate various features of molecules and target protein to design their study

Chemoinformatics Theory Practice Products

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Author : Barry A. Bunin
language : en
Publisher: Springer Science & Business Media
Release Date : 2006-11-23

Chemoinformatics Theory Practice Products written by Barry A. Bunin 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 2006-11-23 with Science categories.

Chemoinformatics is the use of information technology in the acquisition, analysis and management of data and information relating to chemical compounds and their properties. The purpose of this book is to provide computational scientists, medicinal chemists and biologists with complete practical information and underlying theory relating to modern Chemoinformatics and related drug discovery informatics technologies. This is an essential handbook for determining the right Chemoinformatics method or technology to use.

Functional Informatics In Drug Discovery

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Author : Sergey Ilyin
language : en
Publisher: CRC Press
Release Date : 2007-08-27

Computer Applications In Pharmaceutical Research And Development

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Author : Sean Ekins
language : en
Publisher: John Wiley & Sons
Release Date : 2006-07-11

Computer Applications In Pharmaceutical Research And Development written by Sean Ekins 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 2006-07-11 with Medical categories.

A unique, holistic approach covering all functions and phases of pharmaceutical research and development While there are a number of texts dedicated to individual aspects of pharmaceutical research and development, this unique contributed work takes a holistic and integrative approach to the use of computers in all phases of drug discovery, development, and marketing. It explains how applications are used at various stages, including bioinformatics, data mining, predicting human response to drugs, and high-throughput screening. By providing a comprehensive view, the book offers readers a unique framework and systems perspective from which they can devise strategies to thoroughly exploit the use of computers in their organizations during all phases of the discovery and development process. Chapters are organized into the following sections: * Computers in pharmaceutical research and development: a general overview * Understanding diseases: mining complex systems for knowledge * Scientific information handling and enhancing productivity * Computers in drug discovery * Computers in preclinical development * Computers in development decision making, economics, and market analysis * Computers in clinical development * Future applications and future development Each chapter is written by one or more leading experts in the field and carefully edited to ensure a consistent structure and approach throughout the book. Figures are used extensively to illustrate complex concepts and multifaceted processes. References are provided in each chapter to enable readers to continue investigating a particular topic in depth. Finally, tables of software resources are provided in many of the chapters. This is essential reading for IT professionals and scientists in the pharmaceutical industry as well as researchers involved in informatics and ADMET, drug discovery, and technology development. The book's cross-functional, all-phases approach provides a unique opportunity for a holistic analysis and assessment of computer applications in pharmaceutics.

In Silico Technologies In Drug Target Identification And Validation

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Author : Darryl Leon
language : en
Publisher: CRC Press
Release Date : 2006-06-13

In Silico Technologies In Drug Target Identification And Validation written by Darryl Leon and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-06-13 with Medical categories.

The pharmaceutical industry relies on numerous well-designed experiments involving high-throughput techniques and in silico approaches to analyze potential drug targets. These in silico methods are often predictive, yielding faster and less expensive analyses than traditional in vivo or in vitro procedures. In Silico Technologies in Drug Target Identification and Validation addresses the challenge of testing a growing number of new potential targets and reviews currently available in silico approaches for identifying and validating these targets. The book emphasizes computational tools, public and commercial databases, mathematical methods, and software for interpreting complex experimental data. The book describes how these tools are used to visualize a target structure, identify binding sites, and predict behavior. World-renowned researchers cover many topics not typically found in most informatics books, including functional annotation, siRNA design, pathways, text mining, ontologies, systems biology, database management, data pipelining, and pharmacogenomics. Covering issues that range from prescreening target selection to genetic modeling and valuable data integration, In Silico Technologies in Drug Target Identification and Validation is a self-contained and practical guide to the various computational tools that can accelerate the identification and validation stages of drug target discovery and determine the biological functionality of potential targets more effectively. Daniel E. Levy, editor of the Drug Discovery Series, is the founder of DEL BioPharma, a consulting service for drug discovery programs. He also maintains a blog that explores organic chemistry.

Pharmacoinformatics And Drug Discovery Technologies Theories And Applications

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Author : Gasmelseid, Tagelsir Mohamed
language : en
Publisher: IGI Global
Release Date : 2012-03-31

Pharmacoinformatics And Drug Discovery Technologies Theories And Applications written by Gasmelseid, Tagelsir Mohamed and has been published by IGI Global this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-03-31 with Medical categories.

Within the context of integrated health management domains, pharmacoinformatics aims at maximizing the benefits from the use of information systems and technologies for the provision of decision support tools necessary for improved drug management, use, and administration practices. Pharmacoinformatics and Drug Discovery Technologies: Theories and Applications offers the latest the field has to offer to practitioners and academics alike, presented through theoretical frameworks, case studies, and future directions. This vital resource gathers an integrated pattern of high quality publications from around the world providing current, cutting-edge, and provocative scientific work in the three domains of pharmacoinformatics: decision making domains, knowledge utilization and representation environment, and the technological and infrastructural context.

Functional Informatics In Drug Discovery

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