The late, great John Faulkner was one of the pioneers of marine natural product chemistry and had a very elegant philosophy about the cardinal rules of structure elucidation, which are as relevant as ever today. In many ways, the development of Computer-Assisted Structure Elucidation (CASE) software systems has reflected this philosophy – Faulkner’s rules form the basic axioms behind the system best known as ACD/Structure Elucidator. John’s piece entitled, “A Philosophical Basis for Structure Elucidation” has served as a roadmap for the development of this software package over the years.
Software that can unravel the mysteries of unknown structures has seemed both magical and sterile (the latter being viewed as negating the need for any human interpretation). The truth is that CASE systems serve as great companions for spectroscopists, ensuring proposed structures match all available data, and that all alternative structures are evaluated without bias, hence staying true to the Faulkner philosophy.
Join ACD/Labs at this year’s ICNPR conference for a discussion on how John Faulkner’s philosophy has been mirrored in the development of CASE systems, and to take a close look at how this system has been successfully employed to solve some of nature’s most complex structure elucidation challenges.
The meeting starts at 7:00pm on Monday July 30th in the Regency Room, Mezzanine Level (click here for floorplan)
|7:00–7:30 PM||Magic Show by Koji Nakanishi|
|7:30–8:00 PM||Faulkner, Holmes, and Elyashberg—The Philosophy Behind Computer-Assisted Structure Elucidation (CASE) Ryan Sasaki, ACD/Labs|
|8:00–8:30 PM||Live Demonstration of ACD/Structure Elucidator Joe DiMartino, ACD/Labs|