CINFThursday, August 26, 2004

8:30 AM-11:30 AM Pennsylvania Convention Center -- 110A&B, Oral
Advances in Virtual High-Throughput Screening
Innovative Approaches
Organizer:Osman F. GŁner
Presiding:Marguerita Lim Wilby
8:30 AM Automation and deployment of virtual screening to the discovery organization
Robert D Brown, Andrei Caracoti, Rahim Lila
9:00 AM Ultra-high throughput vHTS with neural networks
Victor S. Lobanov
9:30 AM SARtree: A new method for analyzing and visualizing the results from virtual and experimental screening of large complex chemical libraries
Donovan N. Chin, Anuj Patel, R. Aldrin Denny, Juswinder Singh
10:00 AM Searching the impossible: Feature trees in fragment space
Marcus Gastreich, Sally Ann Hindle, Christian Lemmen
10:30 AM Fast and accurate coarse-grained estimate of small molecule binding free energies
Jun Shimada, Alexey V. Ishchenko, Kam Jim, David J. Lawson, Peter R. Lindblom, Guosheng Wu, JP Wery
11:00 AM Building predictive models from high-throughput screening data
Paul E. Blower, Kevin P. Cross, Glenn J. Myatt, Chihae Yang

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Symposium Grid -- Division of Chemical Information -- Session Listing

The 228th ACS National Meeting, in Philadelphia, PA, August 22-26, 2004