| COMP | Monday, 11 September 2006 | ||
9:00 AM-12:00 PM Moscone Center -- Room 224/226, Oral | |||
Molecular Similarity and Indexing Methods | |||
| Organizers: | Ajay N. Jain Anthony Nicholls | ||
| 9:00 AM | 64 | Molecular similarity: Effective methodological testing for practical utilization Ajay N. Jain | |
| 9:30 AM | 65 | Bridging chemical and biological space: “Target Fishing” using 2D and 3D molecular descriptors James H. Nettles, Jeremy L. Jenkins, Andreas Bender, Zhan Deng, John W. Davies, Meir Glick | |
| 10:00 AM | 66 | Ligand-based design at GSK via pFPs and SCOPE G. Patrick Brady, Chaya Duraiswami, Zheng P. Yang, Xuan Hong, Martha S Head | |
| 10:30 AM | 67 | Molecular equivalence index searching Veerabahu Shanmugasundaram, Michelle Hall, Man Chang, John Raymond | |
| 11:00 AM | 68 | Validating topomer shape similarity as a predictor of biological similarity Robert Jilek, Richard D. Cramer | |
| 11:30 AM | 69 | Cluster representation using reduced graphs Eleanor J. Gardiner, David A. Cosgrove, Peter Willett, Valerie J. Gillet | |
Molecular Similarity and Indexing Methods -- Next Session
Symposium Grid -- Division of Computers in Chemistry -- Session Listing
The 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006