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Daniel Zaharevitz Information Technology Branch Developmental Therapeutics Program National Cancer Institute NIH Roadmap Molecular Library and Imaging Implementation Group zaharevitz@dtpax2.ncifcrf.gov. NIH Roadmap. “accelerating medical discovery to improve health” http://nihroadmap.nih.gov/
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Daniel ZaharevitzInformation Technology BranchDevelopmental Therapeutics ProgramNational Cancer InstituteNIH Roadmap Molecular Library and ImagingImplementation Groupzaharevitz@dtpax2.ncifcrf.gov
NIH Roadmap • “accelerating medical discovery to improve health” • http://nihroadmap.nih.gov/ • trans-institute • New Pathways to Discovery • Research Teams of the Future • Re-engineering the Clinical Enterprise • ~$300 million/year • slightly more than 1% of NIH budget
Molecular Libraries and Imaging • Molecular Libraries Screening Center Network (MLSCN) • 10 centers • Compound repository • Target: 100,000 compounds in 20 assays in each center every year • Cheminformatics • PubChem • Cheminformatics Centers • Technology Development • New chemistry, assays, and instrumentation • Predictive ADME/Tox
PubChem • Immediate repository of MLSCN output • chemical structures • bioassay data • assay protocols • Main architectural goal is to connect this data with other NCBI databases • Library tool, not a laboratory tool • Will most likely be the major point of contact between MLI and the research community
Cheminformatics Centers • Originally competed as planning grants • 6 awards made • Full center RFA in ~1 year • Full center funding 5-10 times planning funding • Looking for work that will add value to MLSCN and PubChem
“Inside Politics” • Budget is very tight • People that have control of money don't like to see money go elsewhere • RO1 applicants tend to think every cent that isn't in the RO1 pool is money being taken from them • Challenge for Roadmap staff and grantees • Convince Institute staff and RO1 applicants that Roadmap is worth it • For full Cheminformatics Center: ~$20/year/RO1
Some Practical Considerations • Make sure the planning is solid • Be proactive in identifying and cultivating your “customers” • Specialized research community • Broad research community • MLSCN • Take advantage of PubChem • Help shape PubChem • Help shape future Roadmap cheminformatics work