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ACD/Labs Blog

Structural Elucidations of NMR spectra, whether combined with other analytical techniques, or on their own, are akin to the challenges of the most complex cryptic crosswords—maybe the kind you find in the weekend editions of The Guardian, or The Times—but much, much tougher with some clues sometimes missing. At least that’s why I believe some of our internal experts and application scientists like the challenges of solving these “puzzles” on a regular basis.

With the help of ACD/Labs’ software, PharmaSea researchers have dereplicated more than 300 extracts, and, as a result, have identified 10 novel compounds that merit further research. Prof. Marcel Jaspars, head of the Marine Biodiscovery Centre at the University of Aberdeen, and project leader of PharmaSea, discusses the PharmaSea project in detail here.