Session: Informatics and High Throughput Experimentation


CINF		Tuesday, 15 March 2005

1:45 PM-4:55 PM Convention Center -- Room 33B, Oral
Informatics and High Throughput Experimentation

Organizer:	Mitchell A. Miller
1:45 PM	82	Library design through lead optimization: An application for integrating data and workflow among high-throughput scientists Louis J. Culot Jr.
2:10 PM	83	Boosting descriptors for similarity searches: feature trees trained by machine learning Marcus Gastreich, Jun Liao, Gerhard Hessler, Stefania Pfeiffer-Marek, Sally Ann Hindle, Manfred Warmuth, Christian Lemmen, Thorsten Naumann, Karl-Heinz Baringhaus
2:35 PM	84	Comparison of the effect of false positives on Tanimoto and modified Bayesian similarity David Rogers
3:00 PM	85	Design and linkage of compound filters to HTS assay promiscuity Bradley C. Pearce, Michael J Sofia, David A. Stock, Dieter A. Drexler
3:25 PM		Intermission
3:40 PM	86	Fingerprint-based virtual screening using multiple reference structures Jérôme Hert, Peter Willett, David J. Wilton, Pierre Acklin, Kamal Azzaoui, Edgar Jacoby, Ansgar Schuffenhauer
4:05 PM	87	Learning from library design Gregory A. Landrum, Julie E. Penzotti, Santosh Putta
4:30 PM	88	Using topomer similarity and FlexS with OptDesign to create targeted GPCR libraries Sun Choi, Farhad Soltanshahi, Michael S. Lawless, Richard Hufton, Robert D. Clark

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