| COMP | Tuesday, 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. Güner | ||
| 8:50 AM | 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 AM | 126 | Automated QSPR by competitive workflow David E. Leahy, J. Cartmell, S. Enoch, D. Krstajic, J. Bowen | |
| 9:50 AM | 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 AM | Intermission | ||
| 10:30 AM | 128 | Modeling polymer sorption Marvin Charton | |
| 11:00 AM | 129 | Computational chemistry robots Joe A Townsend, Peter Murray-Rust, Simon M. Tyrrell, Yong Zhang | |
| 11:30 AM | 130 | Assessment 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