SECTION I: COMPUTERS IN PHARMACEUTICAL RESEARCH AND DEVELOPMENT: A GENERAL OVERVIEW. |
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1. The history of computers in pharmaceutical research and development: A narrative (Donald B. Boyd and Max M. Marsh). |
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2. Computers as data analysis and data management tools in preclinical development (Weiyong Li and Kenneth Banks). |
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3. Statistical modeling in pharmaceutical research and development (Andrea de Gaetano, Simona Panuzi, Benoit Beck and Bruno Boulanger). |
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SECTION II: UNDERSTANDING DISEASES: MINING COMPLEX SYSTEMS FOR KNOWLEDGE. |
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4. Drug discovery from historic herbal texts (Eric J. Buenz). |
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5. Contextualizing the impact of bioinformatics on preclinical drug and vaccine discovery (Darren R. Flower). |
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6. Computers and systems biology for pharmaceutical research and development (Sean Ekins and Craig Giroux). |
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SECTION III: SCIENTIFIC INFORMATION HANDLING AND ENHANCING PRODUCTIVITY. |
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7. Information management -biodata in life sciences (Richard K. Scott and Anthony Parsons). |
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8. Chemoinformatics techniques for processing chemical structure databases (Valerie J. Gillet and Peter Willett). |
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9. Electronic Laboratory Notebooks (Alfred Nehme and Robert A. Scoffin). |
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10. Strategies for using information effectively in early stage drug discovery (David J. Wild). |
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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). |
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SECTION IV: COMPUTERS IN DRUG DISCOVERY. |
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12. Computers and protein crystallography (David J. Edwards and Roderick E. Hubbard). |
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13. Computers, cheminformatics and the medicinal chemist (Weifan Zheng and Michael L. Jones). |
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14. The challenges of making useful protein-ligand free energy predictions for drug discovery (Jun Shimada). |
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15. Computer algorithms for selecting molecule libraries for synthesis (Konstantin V. Balakin, Nikolay P. Savchuk and Alex Kiselyov). |
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16. Success stories of computer-aided design (Hugo Kubinyi). |
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17. Pharmaceutical research and development productivity: can software help (Christophe Lambert and Stan Young)? |
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SECTION V: COMPUTERS IN PRE-CLINICAL DEVELOPMENT. |
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18. Computer methods for predicting drug metabolism (Sean Ekins). |
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19. Computers in toxicology and risk assessment (John C. Dearden). |
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20. Computer optimization of biopharmaceutical properties (Cheng Chang and Peter W. Swaan). |
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21. Computer simulations in pharmacokinetics and pharmacodynamics. |
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rediscovering systems physiology in the 21st Century (Paolo Vicini). |
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22. Predictive models for better decisions from understanding physiology to optimizing trial design (James R. Bosley Jr.). |
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SECTION VI: COMPUTERS IN DEVELOPMENT DECISION MAKING, ECONOMICS AND MARKET ANALYSIS. |
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23. Making pharmaceutical development more efficient (Michael Rosenberg and Richard Farris). |
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24. Use of interactive software in medical decision making (Renee Arnold). |
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SECTION VII: COMPUTERS IN CLINICAL DEVELOPMENT. |
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25. Clinical data collection and management (Mazen Abdellatif). |
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26. Regulation of computer systems (Sandy Weinberg). |
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27. A new paradigm for analyzing adverse drug events (Ana Szarfman, Jonathan G. Levine and Joseph M. Tonning). |
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SECTION VIII: FURTHER APPLICATIONS AND FUTURE DEVELOPMENT. |
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28. Computers in pharmaceutical formulation (Raymond C. Rowe and Elizabeth A. Colbourn). |
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29. Legal protection of innovative uses of computers in research and development (Robert Harrison). |
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30. The ethics of computing in pharmaceutical research (Matthew K. McGowan and Richard J. McGowan). |
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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). |
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32. Powerful, predictive and pervasive: The future of computers in the pharmaceutical industry (Nick Davies, Heather Ahlborn, Stuart T. Henderson). |
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