COMPWednesday, 31 August 2005

8:10 AM-12:05 PM Washington DC Convention Center -- 151A, Oral
Visualization and Interpretation of Computational Models
Organizers:Anton Filikov
Rocio Palma
Organizer, Presiding:Andrew Smellie
8:10 AMIntroductory Remarks
8:20 AMVisualizing structure-activity relationships in ABCD
Dimitris K. Agrafiotis
8:50 AMMolecular Property eXplorer: A novel approach to visualizing SAR
Christopher Kibbey
9:20 AMSAESAR: Software workbench for the interpretation and visualization of shape, electrostatics and structure activity relationships
Norah E. MacCuish, Anthony Nicholls, John D. MacCuish, Mitch Chapman
9:50 AMIntermission
10:05 AMSherloque: A general purpose SAR and property viewer
Andrew Smellie
10:35 AMCassandra: A web interactive molecular modeling and cheminformatics visualization interface
Lewis Whitehead, Peter Gedeck, Wendy D. Cornell, Peter Finan
11:05 AMUse of Spotfire™ profile charts to display dose-response curves for comparison of compounds' in vitro transcriptional activities
Daniel R. McMasters, J. Christopher Culberson
11:35 AMPyMOL: A communications tool for computational models
Warren L DeLano, Joni W Lam

Visualization and Interpretation of Computational Models -- Next Session

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

The 230th ACS National Meeting, in Washington, DC, Aug 28-Sept 1, 2005