ORGN 626 |
| The ROBIA (Reaction Outcome By Informatics Analysis) program analyses organic transformations using conformation analysis and molecular modeling to generate and to evaluate competing reaction pathways. This can be used both to assess the likely stability of candidate structures and also to examine synthetic pathways towards these molecules. The strategy is based on trusting molecular modeling more than the synthetic literature, so that the results can be used as a test for reported reactions. |
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Chemical Information and Organic Chemistry: The Road Ahead
8:25 AM-12:00 PM, Wednesday, 13 September 2006 Moscone Center -- Room 131, Oral
Division of Organic Chemistry |