Asymmetric Catalysis


Asymmetric catalysis is the use of a chiral catalyst that favors the formation of one stereoisomer. A chiral feature biases the formation of one stereoisomer through interactions at the transition state. Identification of chiral catalyst and reaction conditions often requires empircal optimization. C-CAS seeks to integrate data chemistry to inform the selection of optimal catalysts and bypass time-consuming traditional reaction development strategies.


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  • Gensch, T.; Smith, S.R; Colacot, T.J.; Timsina, Y.; Xu, G.; Glasspoole, B.W.; Sigman, M.S, Design and Application of a Screening Set for Monophosphine Ligands in Metal Catalysis. ACS Catal. 2022. 12, 13, 7773-7780.

  • Williams, W.L.; Zeng, L.; Gensch, T.; Sigman, M.S.; Doyle, A.G.; Anslyn, E. V. The Evolution of Data-Driven Modeling in Organic Chemistry.  ACS Cent. Sci. 2021, 7, 1622-1637.