Andrew Zahrt
Affiliations: | Chemistry | University of Illinois, Urbana-Champaign, Urbana-Champaign, IL | |
| Massachusetts Institute of Technology, Cambridge, MA, United States |
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Parents
Sign in to add mentor| Scott E. Denmark | grad student | UIUC | |
| Klavs Flemming Jensen | post-doc | MIT (E-Tree) |
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Publications
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| Schnitzer T, Schnurr M, Zahrt AF, et al. (2024) Machine Learning to Develop Peptide Catalysts-Successes, Limitations, and Opportunities. Acs Central Science. 10: 367-373 |
| Delaney CP, Zahrt AF, Kassel VM, et al. (2024) Effects of Ring Size and Steric Encumbrance on Boron-to-Palladium Transmetalation from Arylboronic Esters. The Journal of Organic Chemistry |
| Rinehart NI, Saunthwal RK, Wellauer J, et al. (2023) A machine-learning tool to predict substrate-adaptive conditions for Pd-catalyzed C-N couplings. Science (New York, N.Y.). 381: 965-972 |
| Zahrt AF, Mo Y, Nandiwale KY, et al. (2022) Machine-Learning-Guided Discovery of Electrochemical Reactions. Journal of the American Chemical Society |
| Rinehart NI, Zahrt AF, Denmark SE. (2021) Leveraging Machine Learning for Enantioselective Catalysis: From Dream to Reality. Chimia. 75: 592-597 |
| Rinehart NI, Zahrt AF, Henle JJ, et al. (2021) Dreams, False Starts, Dead Ends, and Redemption: A Chronicle of the Evolution of a Chemoinformatic Workflow for the Optimization of Enantioselective Catalysts. Accounts of Chemical Research |
| Zahrt AF, Henle JJ, Denmark SE. (2020) Cautionary Guidelines for Machine Learning Studies with Combinatorial Datasets. Acs Combinatorial Science |
| Henle JJ, Zahrt AF, Rose BT, et al. (2020) Development of a Computer-Guided Workflow for Catalyst Optimization. Descriptor Validation, Subset Selection, and Training Set Analysis. Journal of the American Chemical Society |
| Zahrt AF, Denmark SE. (2019) Evaluating continuous chirality measure as a 3D descriptor in chemoinformatics applied to asymmetric catalysis. Tetrahedron Letters. 75: 1841-1851 |
| Zahrt AF, Athavale SV, Denmark SE. (2019) Quantitative Structure-Selectivity Relationships in Enantioselective Catalysis: Past, Present, and Future. Chemical Reviews |