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Ensuring the Quality of Registered Compounds in a Drug Discovery Environment – A Multidisciplinary Approach
Poster Title: Ensuring the Quality of Registered Compounds in a Drug Discovery Environment – A Multidisciplinary Approach
Submitted on 20 Dec 2013
Author(s): Ryan Sasaki and Tara Sinclair
Affiliations: ACD Labs
Poster Views: 1,431
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Poster Information
Abstract: In addition, it has provided a means to apply analytical review, with minimal staffing, to entire collections of compounds which would otherwise not be possible. The system identifies a manageable subset of the entire compound collection for an analytical specialist, eliminating the need to look at compounds with a high degree of confidence and concentrate on those more likely to be of issue. Simplicity has been the key to its effective and growing use in the organization. The benefits of this system to synthetic chemists are clear—the amount of additional effort on behalf of the chemists’ workflow is negligible but provides a plethora of useful information, including an overall assessment of their compound tentative assignments. With this combination, user acceptance and trust from the medicinal chemistry community was gained. This poster will focus mainly on the addition of an NMR verification filter using commercial NMR software to existing automated in-house HPLC and LC/MS assessment tools.Summary: Lexicon Pharmaceuticals have demonstrated that a practical automated verification system using HPLC, LC/MS, and 1D and 2D NMR can be implemented in an industrial/pharmaceutical environment. This system has proven to be robust, and provides added value to compound collection integrity and quality.
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