Chemical Informatics and Cyberinfrastructure Collaboratory
IU Personnel Meeting
Wednesday, October 6, 2006, 1:00 — 5:00PM, Eigenmann 921
Agenda & Documents
- IU Computer Science activities [Plale/Gannon]
- Database projects [Wu (.doc)] [Wild]
- Web services developed at IU [Guha]
- OpenEye
- Digital Chemistry
- VOTables [Patel (.ppt)]
- Web services developed in conjunction with the Murray-Rust group at Cambridge
- InChI Google
- InChI Server
- CMLRSSServer
- Open Babel
- WWMM Web Services
- ToxTreeServer
- CDK Web services [Guha]
- Web services under development
- Generic Similarity Search
- Property Calculator
- Hit Classifier
- Taverna workflows [Kim]
- Chemistry projects [Baik (.doc)]
- Novel routes to the discovery of enzyme reaction mechanisms
- Mechanism-based drug design
- Data-inquiry-based development of new methods in natural product synthesis
- Big Red-related events [Gilbert]
- decide what to do
- do a demo for Supercomputing 2006
- possibly do an earlier demo Oct 31 at Techpoint Summit.
- Education [Wiggins]
- Other