Development of pharmaceutical drugs encompasses the use of multiple data sources such as chemical structures, analytical data, meta data, and process parameters. The data types are often siloed in electronic lab notebooks (ELN), laboratory information management systems (LIMS), chromatography data systems (CDS), in-house databases, etc. Development teams often use Excel spreadsheets to summarize all this data. However, this technology has several limitations, such as a lack of chemical intelligence, file versioning concerns, and the inability to view the analytical data directly. Alternatively, researchers can seek to use CMC informatics software designed to support data access and analysis within pharmaceutical development teams.
This presentation compares the management of synthetic data with Excel and one such software application (Luminata®), using example data from the synthesis of an API (i.e., agomelatine). It describes the use of these technologies in process development, structure elucidation, and impurity carryover calculation. The presentation will also highlight differences between chemical data management technologies in pharmaceutical development.