Andrew F. Zahrt

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

Structural, Kinetic, and Computational Characterization of the Elusive Arylpalladium(II)boronate Complexes in the Suzuki–Miyaura Reaction

Andy A. Thomas, Hao Wang, Andrew F. Zahrt et al. · Journal of the American Chemical Society · 2017 · 179 citations · Full text

Elucidating the Role of the Boronic Esters in the Suzuki–Miyaura Reaction: Structural, Kinetic, and Computational Investigations

Andy A. Thomas, Andrew F. Zahrt, Connor P. Delaney et al. · Journal of the American Chemical Society · 2018 · 156 citations · Full text

A machine-learning tool to predict substrate-adaptive conditions for Pd-catalyzed C–N couplings

N. Ian Rinehart, Rakesh K. Saunthwal, Joël Wellauer et al. · Science · 2023 · 107 citations

C-n Couplings, Chemical Engineering, Cross-coupling Reaction +14

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