Computer Applications in Pharmaceutical Research and Development

Sean Ekins

ISBN: 9788126569557

828 pages

Exclusively distributed by BSP Books



Computer science has changed processes in every engineering-based industry from product manufacturing to sales and marketing, by implementing predictions based on statistics, mathematics and risk assessment algorithms. The development of hardware and software has expanded the scope of computer use to various stages of pharmaceutical research and development. While several books have focused on providing an in depth discussion of computer-aided drug design or other topics, none has addressed the use of computers in pharmaceutical research and development in as comprehensive a manner. The chapters are written by leading proponents from industry and academia.





Part I:  Computers In Pharmaceutical Research and Development: A General Overview.

1. The history of computers in pharmaceutical research and development: A narrative

2. Computers as data analysis and data management tools in preclinical development

3. Statistical modeling in pharmaceutical research and development  


Part II: Understanding Diseases: Mining Complex Systems for Knowledge.

4. Drug discovery from historic herbal texts  

5. Contextualizing the impact of bioinformatics on preclinical drug and vaccine discovery

6. Computers and systems biology for pharmaceutical research and development  


Part III: Scientific Information Handling and Enhancing Productivity.

7. Information management -biodata in life sciences  

8. Chemoinformatics techniques for processing chemical structure databases

9. Electronic Laboratory Notebooks  

10. Strategies for using information effectively in early stage drug discovery

11. Improving the pharmaceutical research and development process: how simulation can support management decision-making


Part IV: Computers in Drug Discovery.

12. Computers and protein crystallography  

13. Computers, cheminformatics and the medicinal chemist  

14. The challenges of making useful protein-ligand free energy predictions for drug discovery  

15. Computer algorithms for selecting molecule libraries for synthesis  

16. Success stories of computer-aided design  

17. Pharmaceutical research and development productivity: can software help  


Part V: Computers In Pre-Clinical Development.

18. Computer methods for predicting drug metabolism

19. Computers in toxicology and risk assessment  

20. Computer optimization of biopharmaceutical properties  

21. Computer simulations in pharmacokinetics and pharmacodynamics. rediscovering systems physiology in the 21st Century  

22. Predictive models for better decisions from understanding physiology to optimizing trial design


Part VI: Computers In Development Decision Making, Economics and Market Analysis.

23. Making pharmaceutical development more efficient  

24. Use of interactive software in medical decision making


Part VII: Computers in Clinical Development.

25. Clinical data collection and management  

26. Regulation of computer systems  

27. A new paradigm for analyzing adverse drug events  


Part VIII: Further Applications and Future Development.

28. Computers in pharmaceutical formulation  

29. Legal protection of innovative uses of computers in research and development  

30. The ethics of computing in pharmaceutical research  

31. The UltraLink: An expert system for contextual hyperlinking in knowledge management

32. Powerful, predictive and pervasive: The future of computers in the pharmaceutical industry