When Should Computer Assisted Structure Elucidation (CASE) be Considered?
Time: 18.40–19.10
In structure elucidation endeavors, any proposed solution should always be considered a hypothesis. While observations from a standard set of experiments can prove a structure to be incorrect, it can never truly be considered correct, since future experiments could show it to be false. In order to properly identify the correct structure, all possibilities associated with a molecular formula should be considered. ACD/Structure Elucidator is a software product that been the subject of many peer-reviewed journal articles over the last number of years. As evidenced from these articles, the software has been used successfully to solve a variety of difficult elucidation problems.
This session will outline some of the high-profile success stories the software has been used to solve complex problems and will feature a short demonstration on how the process of CASE works in the context of the ACD/Structure Elucidator software.
