Thread: Reducing the Tedium of NMR Structure Confirmation
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Unread 03-06-2005, 08:06 PM
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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.

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