Reducing the Tedium of NMR Structure Confirmation

[nmrlearner]

The following message was posted by ABowes on old Postnuke of Bionmr.com:

Recently, Advanced Chemistry Development, Inc. (ACD/Labs) conducted a comprehensive study of their NMR prediction software using a broad test database consisting of more than 120,000 ¹H and ¹³C NMR chemical shifts. The study reveals that the prediction accuracy of the latest versions (v8.0) has been improved by 45% for the ¹³C, and 40% for the ¹H NMR chemical shifts, maintaining the leading position among NMR prediction software.

ACD/Labs NMR Predictors, which are easy to use and well-integrated within ACD/Labs' NMR processing software, allow scientists to evaluate the structure-spectrum correspondence in a matter of seconds with the highest degree of confidence. The Predictors also offer tautomer and solvent-specific prediction, and can be trained with the user's own compounds. ACD/Labs also offers NMR prediction modules for ¹⁵N, ¹⁹F, and ³¹P. More information o*n ACD/Labs NMR prediction software and the complete comparative study can be found at www.nmrsoftware.com.