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Article: AI parses vast chemical space to discover optimal reaction conditions


International team lead by professors Marty Burke (at University of Illinois-Urbana-Champaign, USA) and Bartosz  A. Grzybowski (at UNIST, South Korea and Institute of Organic Chemistry, Polish Academy of Sciences, Warsaw, Poland) combined machine learning and robotic chemical synthesis to discover best conditions for heteroaryl metal-catalyzed coupling reactions


Read the paper here.



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Nicholas H. Angello, Vandana Rathore, Wiktor Beker, Agnieszka Wolos, Edward R. Jira, Tony C. Wu, Charles M. Schroeder, Alan Aspuru-Guzik, Bartosz A. Grzybowski*, and Martin D. Burke*. Closed-loop optimization of general reaction conditions for heteroaryl Suzuki-Miyaura coupling. Science  378, 399-495 (2022). 


Posted on December 7, 2022



Prof. Bartosz Grzybowski wins 2022 FNP Prize: watch the award ceremony here! 


Cover Image: Yaroslav's image of charge mosaics was featured on cover of Nature Physics 

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