Consolidating and Managing Data for Drug Development within a Pharmaceutical Laboratory: Comparing the Mapping and Reporting Tools from Software Applications

We present a perspective on drug development for the synthesis of an active pharmaceutical ingredient (e.g., agomelatine) within a commercial technology called Luminata and compare the results to the current method of consolidating the reaction data into Microsoft Excel. The Excel document becomes the ultimate repository of information extracted from multiple sources such as the electronic lab notebook, the laboratory information management system, the chromatography data system, inhouse databases, and external data. The major needs of a pharmaceutical company are tracking the stages of multiple reactions, calculating the impurity carryover across the stages, and performing structure dereplication for an unknown impurity. As there is no standardized software available to link the different needs throughout the life cycle of process development, there is a demand for mapping tools to consolidate the route for an API synthesis and link it with analytical data while reducing transcription errors and maintaining an audit trail.

Automated summary

The pharmaceutical company has major needs to track multiple reaction stages, calculate impurity carryover, and conduct structure dereplication for unknown impurities in the absence of standardized software. Mapping tools are in demand to consolidate API synthesis routes, link them with analytical data, reduce transcription errors, and maintain an audit trail throughout the process development lifecycle.