1. NIH Roadmap and Chemoinformatics Jeffery Loo NLM Associate Fellow Welch Library Journal Club 2004/12/7

2. Discussion Science research developments (NIH Roadmap) Opportunities for information professionals (Chemoinformatics)

3. Agenda Summarize 2 articles Discussion Demonstration

4. NIH Roadmap definition new research vision accelerate discovery and knowledge application priorities

5. Who is Dr. Elias Zerhouni?

6. Motivations for the NIH Roadmap NIH is not responding fast enough to scientific developments Address critical scientific gaps Respond to converging nature of research

7. Complex nature of disease Genes Behavior Diet/Nutrition Infectious agents Environment Society ???

8. Briefly name the 3 Roadmap themes. New pathways to discovery Research teams of the future Re-engineering the clinical research team

9. New Pathways to Discovery understand complex biological systems understand their connections build better "toolbox" for researchers

10. Research Teams of the Future combining skills and disciplines expertise of nontraditional teams high-risk research interdisciplinary research public-private partnerships

11. Reengineering the Clinical Research Enterprise Streamline clinical research: Integrated networks and teams partnerships, IT, standards, information storage informatics infrastructure (NECTAR)

12. NIH Roadmap summary Interdisciplinary projects focusing on: clinical research structural biology informatics Role of biomedical information in the spectrum of medical research: –bench research –technology and knowledge transfer –clinical trials Criticisms?

13. Chemoinformatics IT for managing chemical information and solving chemical problems = chemistry + information science + computer science Driven by drug discovery research

14. Drug discovery Chemical + biological system  desired response?

15. Combinatorial chemistry synthesizing large numbers of related chemical compounds can help design drug leads information rich –physiology of the biological effect –starting material properties –synthesis protocols

16. High throughput screening

17. Chemoinformatics tasks Manage information about: Chemical properties Chemical synthesis Biological effects

18. PubChem