TY - BOOK AU - Ekins,Sean TI - Computer applications in pharmaceutical research and development SN - 0471737798 (hbk.) U1 - 615.10285 PY - 2006/// CY - Hoboken, N.J. PB - Wiley-Interscience KW - Pharmacy KW - Data processing KW - Pharmacology KW - Pharmaceutical industry N1 - Includes bibliographical references and index; Preface. -Acknowledgments. - Contributors. - Pt. 1: Computers in pharmaceutical research and development: a general overview. - 1. 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 ... [et al.]. - Pt. 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. Systems approaches for pharmaceutical research and development / Sean Ekins and Craig Giroux. - Pt. 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 R&D process: how simulation can support management decision making / Andrew Chadwick ... [et al.]. - Pt. 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 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 S. Stanley Young. - Pt. V: Computers in preclinical development. - 18. Computer methods for predicting drug metabolism / Sean Ekins. - 19. Computers in toxicology and risk assessment / John C. Dearden. - 20. Computational modeling of drug disposition / Cheng Chang and Peter W. Swaan. - 21. Computer simulations in pharmacokinetics and pharmacodynamics: rediscovering systems physiology in the 21st century / Paolo Vicin. - 22. Predictive models for better decisions from understanding physiology to optimizing trial design / James R. Bosley, Jr. - Pt. 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 m. - Pt. VII: Computers in clinical development. - 25. Clinical data . - 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. - Pt. 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 R&D / 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 knowledge management / Martin Romacker ... [et al.]. - 32. Powerful, predictive and pervasive: the future of computers in the pharmaceutical industry / Nick Davies, Heather Ahlborn, Stuart Henderson. - Index ER -