| COMP | Tuesday, August 21, 2007 | ||
1:30 PM-4:45 PM BCEC -- 156A, Oral | |||
Evaluation of Computational Methods: Insights, Philosophies and Recommendations | |||
| Focus on Ligand-based Methods | |||
| Organizers: | Anthony Nicholls Ajay N. Jain | ||
| 1:30 PM | 263 | Computational model validation—conducting a fair trial Greg Pearl, Sanjivanjit Bhal, Eduard Kolovanov | |
| 2:05 PM | 264 | Practicing best practices in developing predictive QSAR models Alexander Golbraikh, Alexander Tropsha | |
| 2:40 PM | Intermission | ||
| 2:55 PM | 265 | Validation and the downside of the law of large numbers Robert D. Clark, Michael A. Dolan | |
| 3:30 PM | 266 | Virtual screening enrichment studies: A help or hindrance in tool selection? Andrew C. Good, Tudor I. Oprea | |
| 4:05 PM | 267 | Panel discussion of computational methods evaluation Terry R. Stouch | |
| 4:35 PM | Concluding Remarks | ||
Previous Session -- Evaluation of Computational Methods: Insights, Philosophies and Recommendations
Symposium Grid -- Division of Computers in Chemistry -- Session Listing
The 234th ACS National Meeting, Boston, MA, August 19-23, 2007