Monday, 9/8/2003
8:20 AM - 5:00 PM  Javits Convention Center  1E21, Oral

CINF

Novel Database and Knowledge Mining Techniques

Organized by: Suresh B. Singh
 

8:20 AM

       

 

 Introductory Remarks
   		 

8:30 AM

       

27

 Capturing and harnessing chemical knowledge: accelerating the rate of scientific discovery
Richard D. Hull  		 

9:00 AM

       

28

 Clustering ambiguity and binary descriptors
John D. MacCuish Norah E. MacCuish		 

9:30 AM

       

29

 Statistical analyses of peptide fragmentation pattern in a tandem mass spectral database
Yingying Huang Joseph M. Triscari, Vicki H. Wysocki, Ljiljana Pasa-Tolic, Gordon A. Anderson, Mary S. Lipton, Richard D. Smith		 

10:00 AM

       

30

 Automating rule discovery from data
Susan I. Bassett Terence K. Brunck, Patricia Bacha		 

10:30 AM

       

31

 Prediction of peptide binding using Bayesian learning
Ton Van Daelen, David Rogers, Robert D Brown  		 

11:00 AM

       

32

 New stochastic algorithm to determine drug-likeness
Amiram Goldblum Anwar Rayan, Dinorah Barasch, Gadi Brinker, Ayelet Cycowitz, Inbal Geva-Dotan, Andrea Scaiewicz		 

11:30 AM

       

33

 Systematic analysis of large screening sets
Paul Blower Kevin P. Cross, Glenn Myatt, Chihae Yang, Michael Fligner, Joseph Verducci		 

12:00 PM

       

 

 Lunch Break
   		 

1:30 PM

       

43

 Leveraging information from enzyme superfamily studies
Scott C-H. Pegg Patricia Babbitt		 

2:00 PM

       

44

 Mining the MDDR database using TIMI as a way to find relationships between activity records
Robert P. Sheridan  		 

2:30 PM

       

45

 Knowledge mining in formulation databases
Elizabeth A Colbourn Raymond C Rowe, Stephen J Roskilly		 

3:00 PM

       

46

 Detecting novel therapeutic targets with in-silico homologs
Susan McClatchy Alex Elbrecht, Bruce Bush, Payan Canaran, Jeffrey Yuan, Richard Blevins		 

3:30 PM

       

47

 Drug Rings Database with web interface: A tool to aid in ring replacement strategies
Xiao Q Lewell Andrew C Jones, Craig L Bruce, Gavin Harper, Matthew M Jones, Iain M Mclay, John Bradshaw		 

4:00 PM

       

48

 Analysis of DNA simulation trajectories using relational database and web based tools
Surjit B. Dixit David L. Beveridge		 

4:30 PM

       

49

 Automated pharmacophore extraction: FlexX goes SQL
Holger Claußen Volker Apelt, Marcus Gastreich, Sally Ann Hindle, Christian Lemmen, Jonathan Greene