COMPWednesday, 31 August 2005

1:30 PM-5:20 PM Washington DC Convention Center -- 151A, Oral
Visualization and Interpretation of Computational Models
Organizers:Anton Filikov
Rocio Palma
Organizer, Presiding:Andrew Smellie
1:30 PMIntroductory Remarks
1:35 PMVisualization of model domain, modeling parameters and applicability domain
Glenn J. Myatt, Paul E. Blower, Kevin P. Cross, Chihae Yang
2:05 PMUsing interactive visualization tools to support discovery, optimization, and library design
Jeffrey Lowrie, David J. Diller, Robert K. Delisle
2:35 PMNovel interpretation method for the contribution of structure-information representation indices and predicted physical properties in models of ADME/tox behavior: ANN case studies: Human oral absorption and plasma protein binding
Lowell H. Hall II, L. Mark Hall, Marc E. Parham, Joseph Votano, Lemont B Kier
3:05 PMIntermission
3:20 PMComputational methods for evaluating ideas for kinase targeted libraries
Michael S. Lawless, Jon Swanson, Richard Foster, Christopher Harding, Robert Clark
3:50 PMVisualization of domain applicability of in vitro Chromosome Aberration QSAR models
Donna Morrall, Chihae Yang, Glenn J. Myatt, Kevin Cross, Paul E. Blower
4:20 PMLink3D software: Remote interactive molecular visualization thru Internet
Ferran Sanz, Jorge A. Naranjo, Manuel Pastor
4:50 PMInterpretation techniques for promolecular electron density distribution functions
Laurence Leherte, Daniel P. Vercauteren

Previous Session -- Visualization and Interpretation of Computational Models

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

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