A novel internet-based reaction monitoring, control and autonomous self-optimization platform for chemical synthesis
Organic Process Research and Development
American Chemical Society
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Fitzpatrick, D., Battilocchio, C., & Ley, S. (2015). A novel internet-based reaction monitoring, control and autonomous self-optimization platform for chemical synthesis. Organic Process Research and Development, 20 386-394. https://doi.org/10.1021/acs.oprd.5b00313
We have developed a modular software system that enables researchers to monitor and control chemical reactions via the internet, using any device from any location in the world. It facilitates the automation of synthetic procedures and is able to autonomously self-optimize reaction parameters to find the best conditions meeting customizable, multi-component optimization functions. In this report, we demonstrate its utility as applied to reaction automation to maximize the output from a fixed volume of catalyst. We also showcase its ability to optimize a three dimension heterogeneous catalytic reaction and a five dimension Appel reaction against various target functions.
Synthesis automation, self-optimization, computer control, internet of things
We are grateful to the Woolf Fisher Trust (D.E.F), Pfizer Worldwide Research and Development (C.B.) and EPSRC (S.V.L., grant codes EP/K009494/1, EP/M004120/1 and EP/K039520/1) for financial assistance.
External DOI: https://doi.org/10.1021/acs.oprd.5b00313
This record's URL: https://www.repository.cam.ac.uk/handle/1810/252555
Creative Commons Attribution 4.0 International License
Licence URL: http://creativecommons.org/licenses/by/4.0/