Open-Source Chromatographic Data Analysis for Reaction Optimization and Screening

Chromatographic Data are the main source of information for any work involving the synthesis or analysis of small molecules ā€“ We have developed a software package for the analysis of chromatographic data termed MOCCA. It allows the export of data from the acquisition instruments to a vendor-independent and non-proprietary data format. This gives researchers full access and control over their data and makes it accessible to data science applications (machine learning & predictive algorithms, complex analysis). Ultimately, it paves the way for the implementation of fully digital, autonomous discovery and optimization workflows.


Giulio Volpin conducted his PhD in the group of Prof. Dirk Trauner at LMU Munich. During this time, he conducted research stays at both the University of Cambridge and ICIQ (Tarragona, Spain). After continuing in the Trauner group as a Postdoctoral Research Fellow at New York University, he took up his current position as Lab Leader Process Research at Bayer AG, Crop Science Division in Frankfurt am Main.

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