MACE-CICC-LILLY PLANNING MEETING
August 15-16, 2006
Indianapolis, Indiana
Location: IUPUI Informatics and Communications Technology Building executive conference room (IT 497), 535 W. Michigan (corner of Michigan and West Streets)
Phone Number in IUPUI IT497: 317.278.7608
Polycom in IT497: in-it-infom1 (H323 Extension [E164 number 0013172787609])
Phone Number in UM Duderstadt Center Conference Room 3: 734.647.5503
Polycom in UM Conf Room 3 IP No.: 141.213.30.154
Video Dial-In Numbers at UM: 734.615.4540 & 734.615.4541
Local accommodations: University Conference Center and Hotel located on the IUPUI campus (http://www.universityplace.iupui.edu/ Phone: 317.269.9000 or 800.627.2700)
Objectives:
- To further explore collaborations between academia and industry and between the Indiana University and University of Michigan NIH-funded Exploratory Centers for Cheminformatics Research (ECCRs):
- Chemical Informatics and Cyberinfrastructure Collaboratory (CICC) (http://www.chembiogrid.org)
- Michigan Alliance for Cheminformatic Exploration (MACE) (http://www.stat.lsa.umich.edu/~kshedden/MACE/)
- To learn more about the public databases available at the two university sites (and elsewhere)
- To discuss the NIH Molecular Libraries Screening Center Network and its potential impact on research
- To discuss how IU can help Michigan integrate their leading-edge tools into IU's web service infrastructure and to investigate how they might be used together with other tools in novel workflows
- To identify the most fruitful areas of cooperation among the organizations
- To explore the desirability of a 2007 conference or workshop in Indianapolis on the theme of "Integrated Informatics".
Schedule
Tuesday, August 15
2:30 PM
- Welcome and Introductions
2:45-4:30 PM
- "Building Your Own Web Services–A Tutorial" (Rajarshi Guha)
4:30-5:30
- Discussions
- General ECCR Overview
- Brief overviews of research at Michigan and IU (Gus Rosania and Geoffrey Fox)
- The Molecular Libraries Screening Center Network
- Preliminary Discussion of a possible conference or workshop in 2007
- Starting and ending early on Wednesday
5:30-6:30
- Break for Buffet Dinner (provided across the hall)
6:30-8:30
- Presentation/Discussion (Lilly)
- "Lilly's Interests & Goals and Thoughts about the Future of Informatics–Where We Are and Where We Hope to Go" (Various Presenters)
Wednesday, August 16
8:00-9:00
- Breakfast provided in IT497
9:00-12:00
- Presentations by Michigan
- "Genotype-Chemotype-Phenotype Relationships" (Shaomeng Wang)
- "Multivariate Statistical Analysis, Bioactivity Fingerprints, and Chemical Data Mining" (Kerby Shedden)
- "Cheminformatic Descriptors, Pharmacophores and Toxicophores" (Gordon Crippen)
- "Protein-Small Molecule Interactions" (Heather Carlson)
- "Automated Literature Data Mining and Computational Cellular Pharmacokinetics" (Gus Rosania)
12:00-1:00
- Lunch (provided across the hall)
1:00-2:00 Discussion of the recent ECCR/Molecular Screening Center Libraries Network Meeting in Washington
2:00-5:00
- Presentations by Indiana
- "Overview of Indiana CICC Activities" (Geoffrey Fox)
- "Educational Opportunities in Cheminformatics at IU" (Gary Wiggins)
- "LEAD (Linked Environments for Atmospheric Discovery): Revolutionizing a Field through Cyberinfrastructure and a Portal Demonstration of Workflow Data Mining" (Dennis Gannon/Beth Plale)
- "Connecting Chemical Databases with Traditional Chemical Research through Computational Chemistry" (Mu-Hyun "Mookie" Baik)
- "Chemical Space: Modeling, Exploration, and Understanding" (Rajarshi Guha)
- "Cyberinfrastructure for Cheminformatics/Cheminformatics Services and Workflows" (Marlon Pierce)
- "ChemBioGrid and the Chemist/Portals: Smart Mining Interfaces, Workflows, and Data Mining the NCI DTP Dataset" (David Wild)
5:00-6:00
- Discussion: "Where do we go from here?
Expected Participants
| Indiana | Lilly | Michigan |
|
Mu-Hyun (Mookie) Baik Geoffrey Fox Dennis Gannon Marlon Pierce Beth Plale Rajarshi Guha Gary Wiggins David Wild |
Tom Doman Vijay Gombar Horst Hemmerle (tentative) Mic Lajiness Brian Mattioni John Reynders (tentative) Dan Robertson Jeff Sutherland Jibo Wang Ian Watson |
Heather Carlson (via Polycom) Gordon Crippen Gus Rosania Kerby Shedden Shaomeng Wang |