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Creators/Authors contains: "Krenske, Elizabeth H"

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Improving reaction prediction through chemically aware transfer learning

https://doi.org/10.1039/d4dd00412d

Keto, Angus; Guo, Taicheng; Gönnheimer, Nils; Zhang, Xiangliang; Krenske, Elizabeth H; Wiest, Olaf (May 2025, Digital Discovery)

Pretraining of NERF models on chemically related mechanisms significantly improves the performance compared to pretraining by larger, mechanistically dissimilar reaction datasets.
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Free, publicly-accessible full text available May 14, 2026
Data-Efficient, Chemistry-Aware Machine Learning Predictions of Diels–Alder Reaction Outcomes

https://doi.org/10.1021/jacs.4c03131

Keto, Angus; Guo, Taicheng; Underdue, Morgan; Stuyver, Thijs; Coley, Connor W; Zhang, Xiangliang; Krenske, Elizabeth H; Wiest, Olaf (June 2024, Journal of the American Chemical Society)

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Endo Selectivity in the (4 + 3) Cycloaddition of Oxidopyridinium Ions

https://doi.org/10.1021/acs.orglett.1c03028

Sungnoi, Wanna; Keto, Angus B.; Roseli, Ras Baizureen; Liu, Jinchu; Wang, Heather; Fu, Chencheng; Regalado, Erik L.; Krenske, Elizabeth H.; Harmata, Michael (November 2021, Organic Letters)

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Reassignments and Corroborations of Oxo-Bridged Natural Products Directed by OSE and DU8+ NMR Computation

https://doi.org/10.1002/anie.201902777

Kutateladze, Andrei G.; Krenske, Elizabeth H.; Williams, Craig M. (May 2019, Angewandte Chemie International Edition)

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EBC‐232 and 323: A Structural Conundrum Necessitating Unification of Five In Silico Prediction and Elucidation Methods

https://doi.org/10.1002/chem.202001884

Maslovskaya, Lidia A.; Savchenko, Andrei I.; Krenske, Elizabeth H.; Chow, Sharon; Holt, Tina; Gordon, Victoria A.; Reddell, Paul W.; Pierce, Carly J.; Parsons, Peter G.; Boyle, Glen M.; et al (September 2020, Chemistry – A European Journal)
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Catalytic Asymmetric Staudinger–aza-Wittig Reaction for the Synthesis of Heterocyclic Amines

https://doi.org/10.1021/jacs.9b04803

Cai, Lingchao; Zhang, Kui; Chen, Shuming; Lepage, Romain J.; Houk, K. N.; Krenske, Elizabeth H.; Kwon, Ohyun (April 2019, Journal of the American Chemical Society)

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