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Andrew Zahrt - Publications

Affiliations: 
Chemistry University of Illinois, Urbana-Champaign, Urbana-Champaign, IL 
 Massachusetts Institute of Technology, Cambridge, MA, United States 
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13 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Schnitzer T, Schnurr M, Zahrt AF, Sakhaee N, Denmark SE, Wennemers H. Machine Learning to Develop Peptide Catalysts-Successes, Limitations, and Opportunities. Acs Central Science. 10: 367-373. PMID 38435528 DOI: 10.1021/acscentsci.3c01284  0.531
2024 Delaney CP, Zahrt AF, Kassel VM, Denmark SE. Effects of Ring Size and Steric Encumbrance on Boron-to-Palladium Transmetalation from Arylboronic Esters. The Journal of Organic Chemistry. PMID 38421803 DOI: 10.1021/acs.joc.3c02629  0.49
2023 Rinehart NI, Saunthwal RK, Wellauer J, Zahrt AF, Schlemper L, Shved AS, Bigler R, Fantasia S, Denmark SE. A machine-learning tool to predict substrate-adaptive conditions for Pd-catalyzed C-N couplings. Science (New York, N.Y.). 381: 965-972. PMID 37651532 DOI: 10.1126/science.adg2114  0.583
2022 Zahrt AF, Mo Y, Nandiwale KY, Shprints R, Heid E, Jensen KF. Machine-Learning-Guided Discovery of Electrochemical Reactions. Journal of the American Chemical Society. PMID 36459170 DOI: 10.1021/jacs.2c08997  0.307
2021 Rinehart NI, Zahrt AF, Denmark SE. Leveraging Machine Learning for Enantioselective Catalysis: From Dream to Reality. Chimia. 75: 592-597. PMID 34523399 DOI: 10.2533/chimia.2021.592  0.523
2021 Rinehart NI, Zahrt AF, Henle JJ, Denmark SE. 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. PMID 33856771 DOI: 10.1021/acs.accounts.0c00826  0.573
2020 Zahrt AF, Henle JJ, Denmark SE. Cautionary Guidelines for Machine Learning Studies with Combinatorial Datasets. Acs Combinatorial Science. PMID 33000621 DOI: 10.1021/acscombsci.0c00118  0.621
2020 Henle JJ, Zahrt AF, Rose BT, Darrow WT, Wang Y, Denmark SE. Development of a Computer-Guided Workflow for Catalyst Optimization. Descriptor Validation, Subset Selection, and Training Set Analysis. Journal of the American Chemical Society. PMID 32568531 DOI: 10.1021/jacs.0c04715  0.528
2019 Zahrt AF, Denmark SE. Evaluating continuous chirality measure as a 3D descriptor in chemoinformatics applied to asymmetric catalysis. Tetrahedron Letters. 75: 1841-1851. PMID 31983782 DOI: 10.1016/J.Tet.2019.02.007  0.417
2019 Zahrt AF, Athavale SV, Denmark SE. Quantitative Structure-Selectivity Relationships in Enantioselective Catalysis: Past, Present, and Future. Chemical Reviews. PMID 31886649 DOI: 10.1021/acs.chemrev.9b00425  0.612
2019 Zahrt AF, Henle JJ, Rose BT, Wang Y, Darrow WT, Denmark SE. Prediction of higher-selectivity catalysts by computer-driven workflow and machine learning. Science (New York, N.Y.). 363. PMID 30655414 DOI: 10.1126/Science.Aau5631  0.615
2018 Thomas AA, Zahrt AF, Delaney CP, Denmark SE. Elucidating the Role of the Boronic Esters in the Suzuki-Miyaura Reaction: Structural, Kinetic, and Computational Investigations. Journal of the American Chemical Society. PMID 29543441 DOI: 10.1021/Jacs.8B00400  0.587
2017 Thomas AA, Wang H, Zahrt AF, Denmark SE. Structural, Kinetic, and Computational Characterization of the Elusive Arylpalladium(II)boronate Complexes in the Suzuki-Miyaura Reaction. Journal of the American Chemical Society. PMID 28266847 DOI: 10.1021/Jacs.6B13384  0.45
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