May 15, 2008
by Ryan Sasaki, NMR Product Manager, ACD/Labs
In fact, to borrow a phrase from a colleague, this might be the defacto article on Computer Assisted Structure Elucidation (CASE) for the next decade!
This article written by Mikhail Elyashberg, Antony Williams, and Gary Martin spans across two issues of the review journal, Progress in Nuclear Magnetic Resonance Spectroscopy.
This article entitled, entitled, "Computer-Assisted Structure Verification and Elucidation Tools in NMR-based Structure Elucidation" is available online and you can review a preview of the content at:
http://dx.doi.org/10.1016/j.pnmrs.2007.04.003
This is a very important and comprehensive review of modern expert CASE systems over many years. It includes specific examples of complex natural product structures that have been automatically elucidated using such systems.
I thank the authors of this publication for their contributions in this area, and the efforts they have now put forth to communicate this story to the scientific community.
Please obtain a copy for yourself, I can promise that it is a very informational and intriguing read for those of you who do NMR regularly.