Data-driven workflow combining polymer synthesis

New publication in "Digital Discovery"

Unveiling the knowledge of a RAFT polymerization database obtained from an automated parallel synthesizer
Data-driven workflow combining polymer synthesis
Picture: Michael Ringleb and Yannik Köster

Published:

Our group has established and released an open RAFT polymerization database designed to set a starting point of sharing larger experimental kinetic data sets with the scientific community.

Employing an automated parallel synthesizer, we systematically conducted over 500 polymerizations, varying sixteen monomers, seven chain-transfer agents, and three solvents. Reaction kinetics were monitored for the batch polymerization to later visualize polymerization characteristics.

Importantly, the dataset encompasses both successful and unsuccessful polymerization under the investigated conditions, enabling unbiased evaluation of reactivity trends. The resulting dataset—comprising more than 7,200 individual data points—is accessible through an interactive online platform that allows users to examine kinetic profiles and explore structure–reactivity relationships.

This open-access resource, published in RSC‘s Digital Discovery, provides a foundation for data sharing strategies, reproducible research with automated synthesis execution and data-driven studies.

The complete article can be found here:
https://doi.org/10.1039/d5dd00177cExternal link
👉In a short video, the authors explain the origin and significance of the database HEREExternal link

Authors: Michael RinglebExternal link, Yannik KösterExternal link, Stefan Zechel, Ulrich S. SchubertExternal link