| CINF | Thursday, August 23, 2007 | ||
8:30 AM-11:50 AM BCEC -- 252 A, Oral | |||
General Papers | |||
| Organizer: | Leah R. Solla | ||
| 8:30 AM | 74 | Automated generation of pharmacophore type constraints to improve FlexX docking Andrea Volkamer, Thomas Lengauer, Andreas Kämper | |
| 8:55 AM | 75 | Scoring function to rank pharmacophoric alignments and its application to h1 antagonists Thuan T. H. Huynh Buu, Gerhard Wolber, Thierry Langer, Peter Lackner, Gerald Lirk | |
| 9:20 AM | 76 | New approaches to 3-D pharmacophore searches in virtual screening for bioactive molecules Yevgeniy Podolyan, George Karypis | |
| 9:45 AM | 77 | “Plate cherry picking”: A novel semisequential screening paradigm for cheaper, faster, information-rich compound selection Meir Glick | |
| 10:10 AM | 78 | On some aspects of validation of predictive QSAR models Kunal Roy, J Thomas Leonard, Partha Pratim Roy | |
| 10:35 AM | 79 | Tailoring molecular similarity metrics for property estimation Brian D. Gute, Subhash C. Basak, Douglas M. Hawkins | |
| 11:00 AM | 80 | PIME: A quantitative predicting application to find the isoelectric points for peptides Daming Li | |
| 11:25 AM | 81 | Learning optimum Decision Trees: Influence of parameter choice and feature selection Shaillay Kumar Dogra | |
General Papers -- Next Session
Symposium Grid -- Division of Chemical Information -- Session Listing
The 234th ACS National Meeting, Boston, MA, August 19-23, 2007