CINFSunday, August 22, 2004

1:25 PM-5:00 PM Pennsylvania Convention Center -- 107B, Oral
Emerging Technologies in Chemical Information
Methods and Applications
Organizer, Presiding:Suresh B. Singh
1:25 PM Introductory Remarks
1:30 PM Comprehensive sampling of diverse chemistry space: A key driver for primary screening libraries
Ying Zhang, Jean Patterson, Libing Yu, Carmen M. Baldino
2:00 PM Modeling a business process in drug discovery with WebSphere Business Integration Modeler to assist solutions development
Jean Wang, Jay Zhao
2:30 PM MS5 – A general interface to ADME and search results
Matthew J. Walker, Richard D. Hull, Suresh B. Singh, Robert P. Sheridan, J. Christopher Culberson
3:00 PM Dealing with the concepts of “chemical compound” vs. “chemical structure”
Robert S. Pearlman, Yubin Wu, Karl M. Smith, Brian B. Masek
3:30 PM Tapping into the InnoCentive global solver community to obtain innovative solutions for R&D
Poonam Narula, Yi Shi, Peter Lohse, Eugene Ivanov, Jill Panetta
4:00 PM Screening molecules for their drug-like index
Anwar Rayan, Andrea Scaiewicz, Inbal Geva-Dotan, Dinorah Barasch, Amiram Goldblum
4:30 PM A self-organizing algorithm for generating biologically active conformations
Sergei Izrailev, Huafeng Xu, Dimitris K. Agrafiotis

Symposium Grid -- Division of Chemical Information -- Session Listing

The 228th ACS National Meeting, in Philadelphia, PA, August 22-26, 2004