Computer Applications in Pharmaceutical Research and Development
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Computer Applications in Pharmaceutical Research and Development: (Wiley Series in Drug Discovery and Development)

Computer Applications in Pharmaceutical Research and Development: (Wiley Series in Drug Discovery and Development)


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About the Book

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.

Table of Contents:
Preface xi Acknowledgments xiii Contributors xv Part I: Computers in Pharmaceutical Research And Development: a General Overview 1 1. History of Computers in Pharmaceutical Research and Development: A Narrative 3 Donald B. Boyd and Max M. Marsh 2. Computers as Data Analysis and Data Management Tools in Preclinical Development 51 Weiyong Li and Kenneth Banks 3. Statistical Modeling in Pharmaceutical Research and Development 67 Andrea de Gaetano, Simona Panunzi, Benoit Beck, and Bruno Boulanger Copyrighted Material Part II: Understanding Diseases: Mining Complex Systems for Knowledge 103 4. Drug Discovery from Historic Herbal Texts 105 Eric J. Buenz 5. Contextualizing the Impact of Bioinformatics on Preclinical Drug and Vaccine Discovery 121 Darren R. Flower 6. Systems Approaches for Pharmaceutical Research and Development 139 Sean Ekins and Craig N. Giroux Part III: Scientific Information Handling and Enhancing Productivity 167 7. Information Management—Biodata in Life Sciences 169 Richard K. Scott and Anthony Parsons 8. Chemoinformatics Techniques for Processing Chemical Structure Databases 187 Valerie J. Gillet and Peter Willett 9. Electronic Laboratory Notebooks 209 Alfred Nehme and Robert A. Scoffin 10. Strategies for Using Information Effectively in Early-Stage Drug Discovery 229 David J. Wild 11. Improving the Pharmaceutical R&D Process: How Simulation Can Support Management Decision Making 247 Andrew Chadwick, Jonathan Moore, Maggie A.Z. Hupcey, and Robin Purshouse Part IV: Computers in Drug Discovery 275 12. Computers and Protein Crystallography 277 David J. Edwards and Roderick E. Hubbard 13. Computers, Cheminformatics, and the Medicinal Chemist 301 Weifan Zheng and Michael Jones 14. The Challenges of Making Useful Protein-Ligand Free Energy Predictions for Drug Discovery 321 Jun Shimada 15. Computer Algorithms for Selecting Molecule Libraries for Synthesis 353 Konstantin V. Balakin, Nikolay P. Savchuk, and Alex Kiselyov 16. Success Stories of Computer-Aided Design 377 Hugo Kubinyi 17. Pharmaceutical Research and Development Productivity: Can Software Help? 425 Christophe G. Lambert and S. Stanley Young Part V: Computers in Preclinical Development 443 18. Computer Methods for Predicting Drug Metabolism 445 Sean Ekins 19. Computers in Toxicology and Risk Assessment 469 John C. Dearden 20. Computational Modeling of Drug Disposition 495 Cheng Chang and Peter W. Swaan 21. Computer Simulations in Pharmacokinetics and Pharmacodynamics: Rediscovering Systems Physiology in the 21st Century 513 Paolo Vicini 22. Predictive Models for Better Decisions: From Understanding Physiology to Optimizing Trial Design 529 James R. Bosley, Jr. Part VI: Computers in Development Decision Making, Economics, and Market Analysis 555 23. Making Pharmaceutical Development More Efficient 557 Michael Rosenberg and Richard Farris 24. Use of Interactive Software in Medical Decision Making 571 Renée J. Goldberg Arnold Part VII: Computers in Clinical Development 591 25. Clinical Data Collection and Management 593 Mazen Abdellatif 26. Regulation of Computer Systems 633 Sandy Weinberg 27. A New Paradigm for Analyzing Adverse Drug Events 649 Ana Szarfman, Jonathan G. Levine, and Joseph M. Tonning Part VIII: Further Applications and Future Development 677 28. Computers in Pharmaceutical Formulation 679 Raymond C. Rowe and Elizabeth A. Colbourn 29. Legal Protection of Innovative Uses of Computers in R&D 703 Robert Harrison 30. The Ethics of Computing in Pharmaceutical Research 715 Matthew K. McGowan and Richard J. McGowan 31. The UltraLink: An Expert System for Contextual Hyperlinking in Knowledge Management 729 Martin Romacker, Nicolas Grandjean, Pierre Parisot, Olivier Kreim, Daniel Cronenberger, Thérèse Vachon, and Manuel C. Peitsch 32. Powerful, Predictive, and Pervasive: The Future of Computers in the Pharmaceutical Industry 753 Nick Davies, Heather Ahlborn, and Stuart Henderson Index 775

About the Author :
SEAN EKINS, PHD, DSC, is an Adjunct Associate Professor in the Department of Pharmaceutical Sciences, University of Maryland School of Pharmacy. Dr. Ekins is the author of more than seventy peer-reviewed papers and book chapters as well as several patents. He serves on editorial boards for the Journal of Pharmacological and Toxicological Methods, Drug Metabolism and Disposition, Drug Discovery Today, and Pharmaceutical Research.

Review :
"Computer Applications in Pharmaceutical Research and Development" is ideal for information technologists who want to understand the application of computers across the entire drug research and development process." (Journal of Clinical Research Best Practices, September 2008) "...a well-put-together volume with a lot of very interesting and timely information to convey...it would be a nice addition to individual, academic, and industrial libraries." (Journal of Medicinal Chemistry, December 28, 2006) "...strongly recommended both to the structural and medicinal chemistry community, and also to...computational chemists...the whole book is really very readable and enjoyable." (Structural Chemistry, December 2006)


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Product Details
  • ISBN-13: 9780471737797
  • Publisher: John Wiley & Sons Inc
  • Publisher Imprint: Wiley-Interscience
  • Height: 241 mm
  • No of Pages: 844
  • Returnable: N
  • Spine Width: 43 mm
  • Width: 160 mm
  • ISBN-10: 0471737798
  • Publisher Date: 21 Jul 2006
  • Binding: Hardback
  • Language: English
  • Returnable: N
  • Series Title: Wiley Series in Drug Discovery and Development
  • Weight: 1270 gr


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