1. Distributed Drug Discovery Database Development and Dissemination (D 6 )

2. Outline Database Preparation: Entry of reagents in database Generate combinatorial products Entry of synthesized product information Release: Web application to enable data entry/searching of D 3 database Workflow environment to support pipelining of tasks involving D 3 database Web Services to facilitate integration with other resources (e.g. PubChem)

3. D6D6 Entry of reagents in database –Registry number –PubChem, CAS # –Molecular Formula –Structure(SMILES) –Molecular Weight –Manufacturer

4. D6D6 Generate combinatorial products –Software to use? ChemDraw Digital Computing Freeware(Livingston, D @ MLI)( UNC?)

5. Database Breakdown

6. D6D6 Entry of synthesized product information –%purity –LC-MS data –Lot number (Multiple trials) –Vial # –Lab location –Unique product registry number

7. D6D6 Package as web client applications –Java –.Net

8. D6D6 Use workflow environment tools –Taverna –SciBios

9. D6D6 Utilize web services to integrate with other resources (e.g. PubChem) –SOAP –WSDL etc.