Article by Prof. Jacek Młynarski and Prof. Bartosz Grzybowski in Angewandte Chemie International Edition

18 June 2024

This paper describes a Machine Learning model that aims to improve such catalyst-reaction assignments based on the carefully curated literature data. As we show here for the case of asymmetric magnesium catalysis, this model achieves relatively high accuracy and offers out of-the-box predictions successfully validated by experiment, e.g., in synthetically demanding asymmetric reductions or Michael additions.

P. BaczewskaM. KulczykowskiB. ZambrońJ. Jaszczewska-AdamczakZ. PakulskiR. RoszakB. A. GrzybowskiJ. Mlynarski “Machine Learning Algorithm Guides Catalyst Choices for Magnesium-Catalyzed Asymmetric Reactions” Angew. Chem. Int. Ed.