ACD/Labs Reports Unprecedented Study on Accuracy of NMR Prediction Software
Advanced Chemistry Development, Inc., (ACD/Labs) has released the results of a comprehensive study of their NMR prediction software, conducted using a broad test dataset consisting of more than 120,000 1H and 13C NMR chemical shifts extracted from recently published structures and chemical shift assignments. The study showed that the prediction accuracy of ACD/Labs’ latest version 8.0 Predictors has been improved by 45% for the 13C, and 40% for the 1H NMR chemical shifts, maintaining the leading position among the NMR predictive software packages compared.
Antony Williams, Ph.D., Vice President and Chief Science Officer at ACD/Labs, states, “ACD/Labs delivered their first NMR prediction application to market almost a decade ago. Annually we release a new version of software which includes fresh data culled from the literature introducing new structural diversity into the training sets for the prediction algorithms. These databases are compiled in-house according to stringent quality filters rather than assembled from a multitude of other vendors with disparate approaches. Using the largest, highest quality datasets available as a foundation, our NMR prediction algorithms have been optimized to produce significant enhancement in performance. I firmly believe that our present algorithms would outperform any others in the marketplace today, especially for a large and diverse data set which should be the only true test of capability.”
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 on ACD/Labs NMR prediction software and the complete comparative study can be found at www.nmrsoftware.com .
About Advanced Chemistry Development
Advanced Chemistry Development, Inc., (ACD/Labs) is a chemistry software company offering solutions that truly integrate chemical structures with analytical chemistry information. ACD/Labs creates innovative software packages that aid chemical research scientists worldwide with spectroscopic validation of structures, elucidation of unknown substances, chromatographic separation, medicinal chemistry, preformulation of novel drug agents, and chemical patenting and publication. Combined, ACD/Labs solutions create an analytical informatics system that provides dramatic feed-forward effects on the chemical research process. Founded in 1993, and headquartered in Toronto, Canada, ACD/Labs employs a team of over 100 dedicated individuals whose continual efforts carry ACD/Labs innovative technologies into pharmaceutical, biotech, chemical, and materials companies throughout the world. Information about Advanced Chemistry Development and its products can be found at www.acdlabs.com .
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About Advanced Chemistry Development
Advanced Chemistry Development, Inc., (ACD/Labs) is a chemistry software company offering solutions that truly integrate chemical structures with analytical chemistry information. ACD/Labs creates innovative software packages that aid chemical research scientists worldwide with spectroscopic validation of structures, elucidation of unknown substances, chromatographic separation, medicinal chemistry, preformulation of novel drug agents, and chemical patenting and publication. Combined, ACD/Labs solutions create an analytical informatics system that provides dramatic feed-forward effects on the chemical research process. Founded in 1993, and headquartered in Toronto, Canada, ACD/Labs employs a team of over 100 dedicated individuals whose continual efforts carry ACD/Labs innovative technologies into pharmaceutical, biotech, chemical and materials companies throughout the world. Information about Advanced Chemistry Development and its products can be found at www.acdlabs.com.
About Tegent Technology Ltd.
Founded in 1992, Tegent Technology Ltd., (Tegent) is a leading provider of Chemical Analysis systems, solutions and consultation services for the China and Hong Kong markets. With headquarters in Hong Kong and Guangzhou, Tegent has set up 11 additional branch offices and 2 demo laboratories for their 80 employees in major cities throughout China. Tegent’s critical success factors are professionalism in sales, marketing, technical support and services and a corporate value of long term partnership with principals and customers. Tegent attained reported revenues of $25M US in 2003. For further information, please visit the Tegent Technology Limited home page at www.tegent.com.cn, or contact Edmond Lee at edmond@Tegent.com.hk.
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