Computer Applications in Pharmaceutical Research and Development 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, Computer Applications in Pharmaceutical Research and Development 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.
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.
Contents
Computers in Pharmaceutical Research and Development
- The history of computers in pharmaceutical research and development
- Computers as data analysis and data management tools in preclinical development
- Statistical modeling in pharmaceutical research and development
Understanding Diseases: Mining Complex Systems for Knowledge
- Drug discovery from historic herbal texts
- Contextualizing the impact of bioinformatics on preclinical drug and vaccine discovery
- Computers and systems biology for pharmaceutical research and development
Scientific Information Handling and Enhancing Productivity
- Information management -biodata in life sciences
- Chemoinformatics techniques for processing chemical structure databases
- Electronic Laboratory Notebooks
- Strategies for using information effectively in early stage drug discovery
- Improving the pharmaceutical research and development process: how simulation can support management decision-making
Computers in Drug Discovery
- Computers and protein crystallography
- Computers, cheminformatics and the medicinal chemist
- The challenges of making useful protein-ligand free energy predictions for drug discovery
- Computer algorithms for selecting molecule libraries for synthesis
- Success stories of computer-aided design
- Pharmaceutical research and development productivity: can software help
Computers in Pre-Clinical Development
- Computer methods for predicting drug metabolism
- Computers in toxicology and risk assessment
- Computer optimization of biopharmaceutical properties
- Computer simulations in pharmacokinetics and pharmacodynamics: rediscovering systems physiology in the 21st Century
- Predictive models for better decisions from understanding physiology to optimizing trial design
Computers in Development Decision Making, Economics and Market Analysis
- Making pharmaceutical development more efficient
- Use of interactive software in medical decision making
Computers in Clinical Development
- Clinical data collection and management
- Regulation of computer systems
- A new paradigm for analyzing adverse drug events
Further Applications and Future Development
- Computers in pharmaceutical formulation
- Legal protection of innovative uses of computers in research and development
- The ethics of computing in pharmaceutical research
- The UltraLink: An expert system for contextual hyperlinking in knowledge management
- Powerful, predictive and pervasive: The future of computers in the pharmaceutical industry
Index
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