| Tuesday, 3/15/2005 8:55 AM - 11:45 AM Convention Center 33B, Oral | CINF |
Informatics and High Throughput Experimentation | |
| Organized by: Mitchell A. Miller | |
8:55 AM | Introductory Remarks | ||||||
9:00 AM | CAMS: A high-throughput compound archive management system Robert D. Feinstein | ||||||
9:25 AM | SeQuence IDentification: A peptide sequencing algorithm based on gas-phase peptide fragmentation patterns in tandem mass spectrometry Li Ji Joseph Triscari, Yingying Huang, George Tseng, Shinsheng Yuan, Ljiljana Pasa-Tolic, Mary S Lipton, Richard D. Smith, Vicki H Wysocki | ||||||
9:50 AM | Progressable hit identification from HTS data: An integrated informatics solution Mark A. Hermsmeier | ||||||
10:15 AM | Intermission | ||||||
10:30 AM | Triple store databases and their role in high throughput, automated, extensible data analysis Jeremy G Frey Kieron R Taylor, Robert J Gledhill, Jonathan W Essex | ||||||
10:55 AM | Informatics implementation in ExxonMobil Chemical Company Robert J Wittenbrink Michael E. Lacey, Gregg J. Howsmon, Dave A. Stachelczyk | ||||||
11:20 AM | Designing test plates with maximal information content and diversity for the development of library protocols Jean E. Patterson Ying Zhang, Andrew Smellie, Daming Li, David S. Hartsough, Libing Yu, Carmen M. Baldino |
1:45 PM | Library design through lead optimization: An application for integrating data and workflow among high-throughput scientists Louis J. Culot Jr. | ||||||
2:10 PM | 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 | Comparison of the effect of false positives on Tanimoto and modified Bayesian similarity David Rogers | ||||||
3:00 PM | 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 | 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 | Learning from library design Gregory A. Landrum Julie E. Penzotti, Santosh Putta | ||||||
4:30 PM | Using topomer similarity and FlexS with OptDesign to create targeted GPCR libraries Sun Ch Farhad Soltanshahi, Michael S. Lawless, Richard Hufton, Robert D. Clark |