Andrzej M. Żurański

Predicting Reaction Yields via Supervised Learning.

A. Żurański, A. Doyle, Benjamin J. Shields, 2021, Accounts of chemical research.

Using Data Science To Guide Aryl Bromide Substrate Scope Analysis in a Ni/Photoredox-Catalyzed Cross-Coupling with Acetals as Alcohol-Derived Radical Sources.

A. Żurański, A. Doyle, Jesus I. Martinez Alvarado, 2021, Journal of the American Chemical Society.

Auto-QChem: an automated workflow for the generation and storage of DFT calculations for organic molecules

A. Żurański, A. Doyle, Benjamin J. Shields, 2022, Reaction Chemistry & Engineering.

A Machine Learning Approach to Model Interaction Effects: Development and Application to Alcohol Deoxyfluorination.

A. Żurański, A. Doyle, Shivaani S Gandhi, 2023, Journal of the American Chemical Society.