COMPSunday, August 16, 2009

9:00 AM-11:50 AM Walter E. Washington Convention Center -- 147A, Oral
Structure Activity Relationship Knowledgebases
Organizer, Presidings:Evan Bolton
Stefan Senger
9:00 AMIntroductory Remarks
9:05 AMDetection, assignment, and analysis of multiple scaffolds for medicinal chemistry project databases
Alex M. Clark
9:35 AMOnline chemical modeling environment: models
Iurii Sushko, Sergii Novotarskyi, Anil Kumar Pandey, Robert Körner, Igor V. Tetko
10:05 AMIn silico profiling based on Aureus Global Pharmacology Space Knowledgebase
François Petitet
10:35 AMIntermission
10:50 AMBIDATA: An SAR Knowledgebase for data retrieval and new compound suggestions
Scott Oloff
11:20 AMUsing knowledgebases of structure-activity-data, receptor-site and protein structural similarity to generate new matter ideas
Steven M Muskal

Structure Activity Relationship Knowledgebases -- Next Session

Symposium Grid -- Division of Computers in Chemistry -- Session Listing

The 238th ACS National Meeting, Washington, DC, August 16-20, 2009