Quantitative Molecular Pharmacology And Informatics In Drug Discovery

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Quantitative Molecular Pharmacology and Informatics in Drug Discovery

Author : Michael Lutz
Publisher : John Wiley & Sons
ISBN 13 : 9780471988618
Total Pages : 438 pages
Book Rating : 4.9/5 (886 download)

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Book Synopsis Quantitative Molecular Pharmacology and Informatics in Drug Discovery by : Michael Lutz

Download or read book Quantitative Molecular Pharmacology and Informatics in Drug Discovery written by Michael Lutz and published by John Wiley & Sons. This book was released on 2000-01-10 with total page 438 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Chemoinformatics in Drug Discovery

Author : Tudor I. Oprea
Publisher : John Wiley & Sons
ISBN 13 : 3527604200
Total Pages : 515 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Chemoinformatics in Drug Discovery by : Tudor I. Oprea

Download or read book Chemoinformatics in Drug Discovery written by Tudor I. Oprea and published by John Wiley & Sons. This book was released on 2006-03-06 with total page 515 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook provides the first-ever inside view of today's integrated approach to rational drug design. Chemoinformatics experts from large pharmaceutical companies, as well as from chemoinformatics service providers and from academia demonstrate what can be achieved today by harnessing the power of computational methods for the drug discovery process. With the user rather than the developer of chemoinformatics software in mind, this book describes the successful application of computational tools to real-life problems and presents solution strategies to commonly encountered problems. It shows how almost every step of the drug discovery pipeline can be optimized and accelerated by using chemoinformatics tools -- from the management of compound databases to targeted combinatorial synthesis, virtual screening and efficient hit-to-lead transition. An invaluable resource for drug developers and medicinal chemists in academia and industry.

Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences

Author : Navneet Sharma
Publisher : Academic Press
ISBN 13 : 0128217472
Total Pages : 510 pages
Book Rating : 4.1/5 (282 download)

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Book Synopsis Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences by : Navneet Sharma

Download or read book Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences written by Navneet Sharma and published by Academic Press. This book was released on 2021-05-21 with total page 510 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Molecular Pharmacology

Author : John Dickenson
Publisher : John Wiley & Sons
ISBN 13 : 1118451953
Total Pages : 675 pages
Book Rating : 4.1/5 (184 download)

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Book Synopsis Molecular Pharmacology by : John Dickenson

Download or read book Molecular Pharmacology written by John Dickenson and published by John Wiley & Sons. This book was released on 2012-11-30 with total page 675 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook provides a fresh, comprehensive and accessible introduction to the rapidly expanding field of molecular pharmacology. Adopting a drug target-based, rather than the traditional organ/system based, approach this innovative guide reflects the current advances and research trend towards molecular based drug design, derived from a detailed understanding of chemical responses in the body. Drugs are then tailored to fit a treatment profile, rather than the traditional method of ‘trial and error’ drug discovery which focuses on testing chemicals on animals or cell cultures and matching their effects to treatments. Providing an invaluable resource for advanced under-graduate and MSc/PhD students, new researchers to the field and practitioners for continuing professional development, Molecular Pharmacology explores; recent advances and developments in the four major human drug target families (G-protein coupled receptors, ion channels, nuclear receptors and transporters), cloning of drug targets, transgenic animal technology, gene therapy, pharmacogenomics and looks at the role of calcium in the cell. Current - focuses on cutting edge techniques and approaches, including new methods to quantify biological activities in different systems and ways to interpret and understand pharmacological data. Cutting Edge - highlights advances in pharmacogenomics and explores how an individual’s genetic makeup influences their response to therapeutic drugs and the potential for harmful side effects. Applied - includes numerous, real-world examples and a detailed case-study based chapter which looks at current and possible future treatment strategies for cystic fibrosis. This case study considers the relative merits of both drug therapy for specific classes of mutation and gene therapy to correct the underlying defect. Accessible - contains a comprehensive glossary, suggestions for further reading at the end of each chapter and an associated website that provides a complete set of figures from within the book.

Chemoinformatics

Author : Jürgen Bajorath
Publisher : Springer Science & Business Media
ISBN 13 : 1592598021
Total Pages : 530 pages
Book Rating : 4.5/5 (925 download)

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Book Synopsis Chemoinformatics by : Jürgen Bajorath

Download or read book Chemoinformatics written by Jürgen Bajorath and published by Springer Science & Business Media. This book was released on 2008-02-04 with total page 530 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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).

Drug Design Strategies

Author : David J. Livingstone
Publisher : Royal Society of Chemistry
ISBN 13 : 1849731667
Total Pages : 517 pages
Book Rating : 4.8/5 (497 download)

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Book Synopsis Drug Design Strategies by : David J. Livingstone

Download or read book Drug Design Strategies written by David J. Livingstone and published by Royal Society of Chemistry. This book was released on 2012 with total page 517 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book brings together drug design practitioners, all leaders in their field, who are actively advancing the field of quantitative methods to guide drug discovery, from structure-based design to empirical statistical models - from rule-based approaches to toxicology to the fields of bioinformatics and systems biology. The aim of the book is to show how various facets of the drug discovery process can be addressed in a quantitative fashion (ie: numerical analysis to enable robust predictions to be made). Each chapter includes a brief review of the topic showing the historical development of.

Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment

Author : Roy, Kunal
Publisher : IGI Global
ISBN 13 : 1466681373
Total Pages : 727 pages
Book Rating : 4.4/5 (666 download)

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Book Synopsis Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment by : Roy, Kunal

Download or read book Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment written by Roy, Kunal and published by IGI Global. This book was released on 2015-02-28 with total page 727 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantitative structure-activity relationships (QSARs) represent predictive models derived from the application of statistical tools correlating biological activity or other properties of chemicals with descriptors representative of molecular structure and/or property. Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment discusses recent advancements in the field of QSARs with special reference to their application in drug development, predictive toxicology, and chemical risk analysis. Focusing on emerging research in the field, this book is an ideal reference source for industry professionals, students, and academicians in the fields of medicinal chemistry and toxicology.

Computer Applications in Pharmaceutical Research and Development

Author : Sean Ekins
Publisher : John Wiley & Sons
ISBN 13 : 0470037229
Total Pages : 840 pages
Book Rating : 4.4/5 (7 download)

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Book Synopsis Computer Applications in Pharmaceutical Research and Development by : Sean Ekins

Download or read book Computer Applications in Pharmaceutical Research and Development written by Sean Ekins and published by John Wiley & Sons. This book was released on 2006-07-11 with total page 840 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Translational Medicine

Author : Robert A. Meyers
Publisher : John Wiley & Sons
ISBN 13 : 352768719X
Total Pages : 1100 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Translational Medicine by : Robert A. Meyers

Download or read book Translational Medicine written by Robert A. Meyers and published by John Wiley & Sons. This book was released on 2018-03-02 with total page 1100 pages. Available in PDF, EPUB and Kindle. Book excerpt: This reference work gives a compete overview of the different stages of drug development using a translational approach. The book is structured in different parts, following the different stages in drug development. Almost half of the work is dedicated to core of drug discovery using a translational approach, the identification of appropriate targets and screening methods for the identification of compounds interacting with these targets. The rest of book covers the whole downstream pipeline after the identification of lead compounds, such as bioavailability issues, identification of appropriate drug delivery venues, production and scaling issues and preclinical trials. As has been the case with other works in the encyclopedia, the book is made up of long, comprehensive and authoritative chapters, written by outstanding researchers in the field.

Chemoinformatics for Drug Discovery

Author : Jürgen Bajorath
Publisher : John Wiley & Sons
ISBN 13 : 1118743091
Total Pages : 483 pages
Book Rating : 4.1/5 (187 download)

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Book Synopsis Chemoinformatics for Drug Discovery by : Jürgen Bajorath

Download or read book Chemoinformatics for Drug Discovery written by Jürgen Bajorath and published by John Wiley & Sons. This book was released on 2013-09-25 with total page 483 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Modern Methods of Drug Discovery

Author : Alexander Hillisch
Publisher : Birkhäuser
ISBN 13 : 3034879970
Total Pages : 294 pages
Book Rating : 4.0/5 (348 download)

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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.

Computer Applications in Drug Discovery and Development

Author : Puratchikody, A.
Publisher : IGI Global
ISBN 13 : 1522573275
Total Pages : 332 pages
Book Rating : 4.5/5 (225 download)

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Book Synopsis Computer Applications in Drug Discovery and Development by : Puratchikody, A.

Download or read book Computer Applications in Drug Discovery and Development written by Puratchikody, A. and published by IGI Global. This book was released on 2018-11-23 with total page 332 pages. Available in PDF, EPUB and Kindle. Book excerpt: With more restrictions upon animal experimentations, pharmaceutical industries are currently focusing on a new generation of experiments and technologies that are considerably more efficient and less controversial. The integration of computational and experimental strategies has led to the identification and development of promising compounds. Computer Applications in Drug Discovery and Development is a pivotal reference source that provides innovative research on the application of computers for discovering and designing new drugs in modern molecular biology and medicinal chemistry. While highlighting topics such as chemical structure databases and dataset utilization, this publication delves into the current panorama of drug discovery, where high drug failure rates are a major concern and properly designed virtual screening strategies can be a time-saving, cost-effective, and productive alternative. This book is ideally designed for chemical engineers, pharmacists, molecular biologists, students, researchers, and academicians seeking current research on the unexplored avenues and future perspectives of drug design.

CADD and Informatics in Drug Discovery

Author : Mithun Rudrapal
Publisher : Springer Nature
ISBN 13 : 9819913160
Total Pages : 370 pages
Book Rating : 4.8/5 (199 download)

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Book Synopsis CADD and Informatics in Drug Discovery by : Mithun Rudrapal

Download or read book CADD and Informatics in Drug Discovery written by Mithun Rudrapal and published by Springer Nature. This book was released on 2023-05-12 with total page 370 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Pharmacology in Drug Discovery and Development

Author : Terry P. Kenakin
Publisher : Elsevier
ISBN 13 : 0443141258
Total Pages : 445 pages
Book Rating : 4.4/5 (431 download)

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Book Synopsis Pharmacology in Drug Discovery and Development by : Terry P. Kenakin

Download or read book Pharmacology in Drug Discovery and Development written by Terry P. Kenakin and published by Elsevier. This book was released on 2024-06-03 with total page 445 pages. Available in PDF, EPUB and Kindle. Book excerpt: Pharmacology in Drug Discovery and Development: Understanding Drug Response, Third Edition is an introductory resource that illustrates how pharmacology can be used to furnish the tools necessary to analyze different drug behavior and trace this behavior to its root cause or molecular mechanism of action. Chapters logically build upon one another to show how to characterize the pharmacology of any given molecule and allow for more informed predictions of drug effects in all biological systems. New chapters are dedicated to the interdisciplinary drug discovery environment in both industry and academia, and special techniques involved in new drug screening and lead optimization. The updates to the Third Edition include a new section converting “descriptive” data into “predictive” data through comparison to mathematical models, expansion on enzymes, drug metabolites and drug–drug interactions, and two new chapters. The newly developed companion website hosts further educational resources to complement the book. As in previous editions, this new edition includes numerous valuable chapter summaries, detailed references, practical examples, and case studies throughout. Fully updated, including two new chapters on the science of finding drug molecules Introduces the discipline to a scientist new to the area Demonstrates the value of pharmacology in the drug discovery process Presents a wide variety of techniques in simple terms Includes interactive exercises in the companion website

Biochemical and Molecular Pharmacology in Drug Discovery

Author : Mithun Rudrapal
Publisher : Elsevier
ISBN 13 : 0443160147
Total Pages : 582 pages
Book Rating : 4.4/5 (431 download)

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Book Synopsis Biochemical and Molecular Pharmacology in Drug Discovery by : Mithun Rudrapal

Download or read book Biochemical and Molecular Pharmacology in Drug Discovery written by Mithun Rudrapal and published by Elsevier. This book was released on 2024-06-28 with total page 582 pages. Available in PDF, EPUB and Kindle. Book excerpt: Biochemical and Molecular Pharmacology in Drug Discovery comprises fundamental biochemical and molecular aspects of drug discovery and basic understanding of modern drug discovery approaches along with certain key topics related to molecular pharmacology of drugs and therapeutics. Molecular pharmacology has gained significant momentum among researchers, scientists, and academicians because of its increasing interest in drug discovery research across the globe. Molecular pharmacology involves a fundamental understanding of drug actions at the molecular level with the help of several tools and techniques of biochemical and molecular biology. It explains the phenomena of drug-target interactions considering different biochemical systems and cellular strategies. With the advent of technologies, current advances and research trends move toward molecular and/or target-based drug design and discovery. Through this book, readers will be able to gain skills and knowledge with a thorough understanding of the subject of biochemical and molecular pharmacology, in a comprehensive and systematic manner with special reference to recent advances in drug discovery research. Highlights the fundamentals of biochemical and molecular aspects, with reference to drug discovery research Depicts modern drug discovery approaches such as reverse pharmacology, drug repositioning, and CADD in the context of current research updates Summarizes recent developments in the molecular pharmacology of novel drugs/ therapeutic molecules

Biosimulation in Drug Development

Author : Martin Bertau
Publisher : John Wiley & Sons
ISBN 13 : 3527622683
Total Pages : 540 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Biosimulation in Drug Development by : Martin Bertau

Download or read book Biosimulation in Drug Development written by Martin Bertau and published by John Wiley & Sons. This book was released on 2008-09-08 with total page 540 pages. Available in PDF, EPUB and Kindle. Book excerpt: This first comprehensive survey to cover all pharmaceutically relevant topics provides a comprehensive introduction to this novel and revolutionary tool, presenting both concepts and application examples of biosimulated cells, organs and organisms. Following an introduction to the role of biosimulation in drug development, the authors go on to discuss the simulation of cells and tissues, as well as simulating drug action and effect. A further section is devoted to simulating networks and populations, and the whole is rounded off by a look at the potential for biosimulation in industrial drug development and for regulatory decisions. Part of the authors are members of the BioSim Network of Excellence that encompasses more than 40 academic institutions, pharmaceutical companies and regulatory authorities dealing with drug development; other contributors come from industry, resulting in a cross-disciplinary expert reference.

Pharmacology in Drug Discovery

Author : Terry P. Kenakin
Publisher : Academic Press
ISBN 13 : 0123848563
Total Pages : 261 pages
Book Rating : 4.1/5 (238 download)

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Book Synopsis Pharmacology in Drug Discovery by : Terry P. Kenakin

Download or read book Pharmacology in Drug Discovery written by Terry P. Kenakin and published by Academic Press. This book was released on 2011-09-19 with total page 261 pages. Available in PDF, EPUB and Kindle. Book excerpt: This resource provides simple explanations of the ways in which biological systems use basic biochemical mechanisms to produce fine chemical control of physiology, allowing for more informed predictions of drug effects in all systems and forming the basis of the drug-discovery process.