Session: General Oral: Drug Discovery


COMP		Sunday, 10 September 2006

8:30 AM-12:00 PM Moscone Center -- Room 236, Oral
General Oral: Drug Discovery
Data Extraction, Analysis, Classification
Organizers:	Maricel Torrent Theresa L. Johnson Emilio Xavier Esposito
8:30 AM		Introductory Remarks
8:35 AM	17	Cheminformatics web-based computational laboratory Norah E. MacCuish, John D. MacCuish, Mitch Chapman, TJ O'Donnell
9:00 AM	18	Data mining for kinase gene family selectivity Theresa L. Johnson, Daniel Caffrey, Robert V. Stanton, Simon Xi
9:25 AM	19	Chemotype−based hierarchical classification and rough set theory analysis of the NCI AIDS database Nancy Argüelles, Joachim Petit, Gerald M Maggiora
9:50 AM		Intermission
10:05 AM	20	An on-line on-demand application framework for computational chemistry Thanh N. Truong
10:30 AM	21	Complementarity of FTrees and Tanimoto similarity, clustering, and Bayesian learning in the search for Alpha 7 nAChR ligands Wendy Sanderson, Theo Thielemans, Christophe Buyck, Chris Grantham, Anne Lesage, Jan Willem Thuring, Trevor Howe
10:55 AM		Intermission
11:10 AM	22	Understanding 2D and 3D asymmetry in similarity searching and clustering analysis John D. MacCuish, Norah E. MacCuish
11:35 AM	23	2D visualization and constraint-driven enumeration of chemical fragment spaces Juri Paern, Matthias Rarey

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