Iterative Experimental Design


The interplay of experimental studies with ML methods such as high-throughput optimization lead to a rapid optimization of reactions. C-CAS develops a range of easy-to-use tools such as the EDBO+ optimizer to maximize the information content in experimental design


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  • Romer, N.P., Min, D.S., Wang, J.Y., Walroth, R.C., Mack, K.A., Sirois, L.E., Gosselin, F., Zell, D., Doyle, A.G. and Sigman, M.S., 2024. Data Science Guided Multiobjective Optimization of a Stereoconvergent Nickel-Catalyzed Reduction of Enol Tosylates to Access Trisubstituted Alkenes. ACS Catalysis, 14, pp.4699-4708

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