Computer Applications in Pharmaceutical Research and Development [Hardcover]
Author: Sean Ekins | Language: English | ISBN: 0471737798 | Format: PDF, EPUB
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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.
- Hardcover: 817 pages
- Publisher: Wiley-Interscience; 1 edition (June 30, 2006)
- Language: English
- ISBN-10: 0471737798
- ISBN-13: 978-0471737797
- Product Dimensions: 1.7 x 6.4 x 9.1 inches
- Shipping Weight: 2.8 pounds (View shipping rates and policies)
- Amazon Best Sellers Rank: #361,881 in Books (See Top 100 in Books)
- #38 in Books > Medical Books > Medical Informatics
- #84 in Books > Science & Math > Chemistry > Industrial & Technical
Acknowledgments.
Contributors.
PART I: COMPUTERS IN PHARMACEUTICAL RESEARCH AND DEVELOPMENT: A GENERAL OVERVIEW.
1. The history of computers in pharmaceutical research and development: A narrative (Donald B. Boyd and Max M. Marsh).
2. Computers as data analysis and data management tools in preclinical development (Weiyong Li and Kenneth Banks).
3. Statistical modeling in pharmaceutical research and development (Andrea de Gaetano, Simona Panuzi, Benoit Beck and Bruno Boulanger).
PART II: UNDERSTANDING DISEASES: MINING COMPLEX SYSTEMS FOR KNOWLEDGE.
4. Drug discovery from historic herbal texts (Eric J. Buenz).
5. Contextualizing the impact of bioinformatics on preclinical drug and vaccine discovery (Darren R. Flower).
6. Computers and systems biology for pharmaceutical research and development (Sean Ekins and Craig Giroux).
PART III: SCIENTIFIC INFORMATION HANDLING AND ENHANCING PRODUCTIVITY.
7. Information management -biodata in life sciences (Richard K. Scott and Anthony Parsons).
8. Chemoinformatics techniques for processing chemical structure databases (Valerie J. Gillet and Peter Willett).
9. Electronic Laboratory Notebooks (Alfred Nehme and Robert A. Scoffin).
10. Strategies for using information effectively in early stage drug discovery (David J. Wild).
11. Improving the pharmaceutical research and development process: how simulation can support management decision-making (Andrew Chadwick, Jonathan Moore, Maggie A.Z. Hupcey, and Robin Purshouse).
PART IV: COMPUTERS IN DRUG DISCOVERY.
12. Computers and protein crystallography (David J. Edwards and Roderick E. Hubbard).
13. Computers, cheminformatics and the medicinal chemist (Weifan Zheng and Michael L. Jones).
14. The challenges of making useful protein-ligand free energy predictions for drug discovery (Jun Shimada).
15. Computer algorithms for selecting molecule libraries for synthesis (Konstantin V. Balakin, Nikolay P. Savchuk and Alex Kiselyov).
16. Success stories of computer-aided design (Hugo Kubinyi).
17. Pharmaceutical research and development productivity: can software help (Christophe Lambert and Stan Young)?
PART V: COMPUTERS IN PRE-CLINICAL DEVELOPMENT.
18. Computer methods for predicting drug metabolism (Sean Ekins).
19. Computers in toxicology and risk assessment (John C. Dearden).
20. Computer optimization of biopharmaceutical properties (Cheng Chang and Peter W. Swaan).
21. Computer simulations in pharmacokinetics and pharmacodynamics.
rediscovering systems physiology in the 21st Century (Paolo Vicini).
22. Predictive models for better decisions from understanding physiology to optimizing trial design (James R. Bosley Jr.).
PART VI: COMPUTERS IN DEVELOPMENT DECISION MAKING, ECONOMICS AND MARKET ANALYSIS.
23. Making pharmaceutical development more efficient (Michael Rosenberg and Richard Farris).
24. Use of interactive software in medical decision making (Renee Arnold).
PART VII: COMPUTERS IN CLINICAL DEVELOPMENT.
25. Clinical data collection and management (Mazen Abdellatif).
26. Regulation of computer systems (Sandy Weinberg).
27. A new paradigm for analyzing adverse drug events (Ana Szarfman, Jonathan G. Levine and Joseph M. Tonning).
PART VIII: FURTHER APPLICATIONS AND FUTURE DEVELOPMENT.
28. Computers in pharmaceutical formulation (Raymond C. Rowe and Elizabeth A. Colbourn).
29. Legal protection of innovative uses of computers in research and development (Robert Harrison).
30. The ethics of computing in pharmaceutical research (Matthew K. McGowan and Richard J. McGowan).
31. The UltraLink: An expert system for contextual hyperlinking in knowledgemanagement (Martin Romacker, Nicolas Grandjean, Pierre Parisot, Olivier Kreim, Daniel Cronenberger, Th‚rŠse Vachon and Manuel C. Peitsch).
32. Powerful, predictive and pervasive: The future of computers in the pharmaceutical industry (Nick Davies, Heather Ahlborn, Stuart T. Henderson).
Index.
The papers in this book summarise the ways in which computers are used these days in pharmaceutical research. If nothing else, the sheer accrued volume of published research necessitates sophisticated information analysis. So some sections deal with what you might call the library science issues.By W Boudville
But the book goes much further. A new field of bioinformatics has emerged, and some chapters of the book attempt to explain it. Sitting at the intersection of computing, biology and chemistry. Specifically within biology, it deals with genomics and cell biology. A key idea is the making available of large databases, for efforts like predicting the 3 dimensional structure of a molecule. And for finding targets for theraputic intervention. How to describe this data in a way useful to others to avail themselves of it? The text shows progress along this front.
Some parts of the book are really just describing the state of the art of crystallography. Where the challenges are in finding or predicting the structures of large biologically significant molecules.
HALL OF FAME TOP 1000 REVIEWER VINE VOICE
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