| COMP | Thursday, August 23, 2007 | ||
1:00 PM-4:30 PM BCEC -- 156C, Oral | |||
Phil Magee Memorial Symposium: QSAR Reborn | |||
| Applications | |||
| Organizers: | John H. Block Bob Clark | ||
| 1:00 PM | 483 | Random forest ensembles applied to MLSCN screening data for toxicity prediction and feature selection Rajarshi Guha, Stephan Schurer | |
| 1:30 PM | 484 | On the importance of topological descriptors in understanding structure-property relationships in QSAR and QSPR models David T. Stanton | |
| 2:00 PM | 485 | Predicting allergic contact dermatitis: alternative statistical approaches to chemical classification Subhash C. Basak, Denise Mills, Brian D. Gute, Douglas M. Hawkins | |
| 2:30 PM | 486 | A comparison of the chemical properties of drugs and FEMA/FDA notified GRAS chemical compounds used in the food industry DG. Sprous, FR. Salemme | |
| 2:50 PM | Intermission | ||
| 3:10 PM | 487 | A QSAR model for hERG based on mulitple 1-D alignments David J. Diller | |
| 3:40 PM | 488 | Modeling fluorophilicity: A hybrid method Marvin Charton | |
| 4:10 PM | 489 | "Inductive" descriptors: Ten successful years in QSAR Artem Cherkasov | |
Previous Session -- Phil Magee Memorial Symposium: QSAR Reborn
Symposium Grid -- Division of Computers in Chemistry -- Session Listing
The 234th ACS National Meeting, Boston, MA, August 19-23, 2007