#230 - Co-sponsored Sessions

ACS National Meeting
Fall, 2005
Washington, DC


COMP - Advances in Data Mining and Analysis: Computational Perspective
Washington DC Convention Center
Alexander Tropsha, Osman F. Güner, Organizers; Osman F. Güner, Presiding
8:50 125 BioSimGrid: 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
9:20 126 Automated QSPR by competitive workflow
David E. Leahy J. Cartmell, S. Enoch, D. Krstajic, J. Bowen
9:50 127 Building 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   Intermission
10:30 128 Modeling polymer sorption
Marvin Charton
11:00 129 Computational chemistry robots
Joe A Townsend Peter Murray-Rust, Simon M. Tyrrell, Yong Zhang
11:30 130 Assessment of model protein structures using an entropic metric of dihedral-angle correlation
Shi Zhong Stephen Quirk, Rigoberto Hernandez



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