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-   -   Reducing the Tedium of NMR Structure Confirmation (http://www.bionmr.com/forum/general-10/reducing-tedium-nmr-structure-confirmation-26/)

nmrlearner 03-06-2005 08:06 PM

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


<P class=MsoNormal >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 <SUP>1</SUP>H and <SUP>13</SUP>C NMR chemical shifts. The study reveals that the prediction accuracy of the latest versions (v8.0) has been improved by 45% for the <SUP>13</SUP>C, and 40% for the <SUP>1</SUP>H 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 <SUP>15</SUP>N, <SUP>19</SUP>F, and <SUP>31</SUP>P. More information o*n ACD/Labs NMR prediction software and the complete comparative study can be found at www.nmrsoftware.com.</P>


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