| COMP | Wednesday, August 22, 2007 | ||
1:30 PM-4:50 PM BCEC -- 156C, Oral | |||
Phil Magee Memorial Symposium: QSAR Reborn | |||
| Methods | |||
| Organizers: | John H. Block Bob Clark | ||
| 1:30 PM | 414 | A new paradigm for pattern recognition of drugs Maria A. Grishina, Vladimir Potemkin, Elena S. Pereyaslavskaya | |
| 2:00 PM | 415 | Intrinsic descriptors George D. Purvis III | |
| 2:30 PM | 416 | The development of novel fragment descriptors of molecular structure using frequent common subgraph mining approach: applications to QSAR and protein structure function relationship modeling Alexander Tropsha | |
| 3:00 PM | Intermission | ||
| 3:20 PM | 417 | Molecular topology as a tool for the design of new drugs Jorge Galvez Sr. | |
| 3:50 PM | 418 | Evaluation of descriptors and classification schemes to predict drug metabolism in terms of chemical information John H. Block, Douglas Henry | |
| 4:20 PM | 419 | Gaussian processes: A method for automatic QSAR and ADME modelling Olga Obrezanova, Joelle MR. Gola, Matthew D. Segall | |
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The 234th ACS National Meeting, Boston, MA, August 19-23, 2007