Ensuring the Quality of Registered Compounds in a Drug Discovery Environment – A Multidisciplinary Approach

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.