COMPTuesday, 30 August 2005

8:50 AM-12:00 PM Washington DC Convention Center -- 152A, Oral
Advances in Data Mining and Analysis: Computational Perspective
Organizer:Alexander Tropsha
Organizer, Presiding:Osman F. GŁner
8:50 AMBioSimGrid: A distributed environment for archiving and the analysis of biomolecular simulations
Stuart E Murdock, Kaihsu Tai, Muan Hong Ng, Steve Johnston, Bing Wu, Hans Fangohr, Jonathan W Essex, Paul Jeffreys, Simon Cox, Mark S.P. Sansom
9:20 AMAutomated QSPR by competitive workflow
David E. Leahy, J. Cartmell, S. Enoch, D. Krstajic, J. Bowen
9:50 AMBuilding predictive models using fuzzy biological data: Data mining of the docking results of GSK-3 inhibitors using artificial intelligence approaches
Pavel A. Petukhov, Ae Nim Pae
10:20 AMIntermission
10:30 AMModeling polymer sorption
Marvin Charton
11:00 AMComputational chemistry robots
Joe A Townsend, Peter Murray-Rust, Simon M. Tyrrell, Yong Zhang
11:30 AMAssessment of model protein structures using an entropic metric of dihedral-angle correlation
Shi Zhong, Stephen Quirk, Rigoberto Hernandez

Advances in Data Mining and Analysis: Computational Perspective -- Next Session

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

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