Jeremy Henle

Prediction of higher-selectivity catalysts by computer-driven workflow and machine learning

Andrew F. Zahrt, Jeremy Henle, Brennan T. Rose et al. · Science · 2019 · 665 citations · Full text

Development of a Computer-Guided Workflow for Catalyst Optimization. Descriptor Validation, Subset Selection, and Training Set Analysis

Jeremy Henle, Andrew F. Zahrt, Brennan T. Rose et al. · Journal of the American Chemical Society · 2020 · 94 citations

Artificial Intelligence, Engineering, Machine Learning +21

Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands

Joshua D. Laffoon, Vincent Chan, Michael G. Fickes et al. · ACS Catalysis · 2019 · 63 citations

Biaryl Phosphorinane Ligands, Cross-coupling Reaction, Engineering +8

Cautionary Guidelines for Machine Learning Studies with Combinatorial Datasets

Andrew F. Zahrt, Jeremy Henle, Scott E. Denmark · ACS Combinatorial Science · 2020 · 58 citations

Engineering, Machine Learning, Chemical Analysis +18

Dreams, False Starts, Dead Ends, and Redemption: A Chronicle of the Evolution of a Chemoinformatic Workflow for the Optimization of Enantioselective Catalysts

N. Ian Rinehart, Andrew F. Zahrt, Jeremy Henle et al. · Accounts of Chemical Research · 2021 · 56 citations

Combinatorial Chemistry, Engineering, Organic Chemistry +18