LabAutomation

LIMS systems are useful in managing certain types of data for quality management and sample tracking, however these systems are generally limited in the types of information they can process and store. A unique automated quality management system has been developed and implemented, at a fragrance manufacturer, which incorporates not only conventional capabilities of sample tracking and LIMS systems but also uses chromatographic and spectral data, linking all of this information to discrete samples in a single database. The system also carries out comparison and logic testing to further automate the quality process using software algorithms to make critical decisions about the quality of each sample. Samples are moved through the system and certificates of analysis, or requests for further testing, are generated. The quality management system has been independently audited and has been shown to result in a measurable increase in the effectiveness and efficiency of the manufacturing operation. This poster will outline some of the challenges, and how they were overcome in designing and implementing a functional system that could satisfy the needs of the operation with minimal manual attendance.

A custom designed system of tools has been constructed to provide automated structure confirmation during the compound submission, supervisor verification, and registration phases of the drug discovery process. While LC/MS and HPLC verifications are essential components of the verification, NMR data provides an orthogonal result, and has proven more challenging to automate. By analyzing the Hydrogen-Carbon NMR correlation experiment—the 2D-HSQC—through a comparison to predicted data and proposed structural assignments, a result can be derived indicating the likelihood that the proposed structure is consistent with the data. By using a multidisciplinary analytical approach combining NMR, LC/MS, and HPLC data, the analytical department has helped to systematically identify problems with submitted compounds, allow for corrections, and enhance the overall quality of the compound submission process. The automated verification process has become a valued asset that helps maintain the quality of our drug discovery efforts.