Computer Applications in Pharmaceutical Research and Development

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.