The merger of decatungstate and copper catalysis to enable aliphatic C(sp3)–H trifluoromethylation
Sarver, Patrick J., Bacauanu, Vlad, Schultz, Danielle M., DiRocco, Daniel A., Lam, Yu-hong, Sherer, Edward C., MacMillan, David W. C.
Published in Nature chemistry (01.05.2020)
Published in Nature chemistry (01.05.2020)
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Journal Article
Deep Dive into Machine Learning Models for Protein Engineering
Xu, Yuting, Verma, Deeptak, Sheridan, Robert P, Liaw, Andy, Ma, Junshui, Marshall, Nicholas M, McIntosh, John, Sherer, Edward C, Svetnik, Vladimir, Johnston, Jennifer M
Published in Journal of chemical information and modeling (22.06.2020)
Published in Journal of chemical information and modeling (22.06.2020)
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Journal Article
Computational prediction of chemical reactions: current status and outlook
Engkvist, Ola, Norrby, Per-Ola, Selmi, Nidhal, Lam, Yu-hong, Peng, Zhengwei, Sherer, Edward C., Amberg, Willi, Erhard, Thomas, Smyth, Lynette A.
Published in Drug discovery today (01.06.2018)
Published in Drug discovery today (01.06.2018)
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Journal Article
DELTA50: A Highly Accurate Database of Experimental 1H and 13C NMR Chemical Shifts Applied to DFT Benchmarking
Cohen, Ryan D., Wood, Jared S., Lam, Yu-Hong, Buevich, Alexei V., Sherer, Edward C., Reibarkh, Mikhail, Williamson, R. Thomas, Martin, Gary E.
Published in Molecules (Basel, Switzerland) (07.03.2023)
Published in Molecules (Basel, Switzerland) (07.03.2023)
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Journal Article
A multifunctional catalyst that stereoselectively assembles prodrugs
DiRocco, Daniel A., Ji, Yining, Sherer, Edward C., Klapars, Artis, Reibarkh, Mikhail, Dropinski, James, Mathew, Rose, Maligres, Peter, Hyde, Alan M., Limanto, John, Brunskill, Andrew, Ruck, Rebecca T., Campeau, Louis-Charles, Davies, Ian W.
Published in Science (American Association for the Advancement of Science) (28.04.2017)
Published in Science (American Association for the Advancement of Science) (28.04.2017)
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Journal Article
Unequivocal identification of two-bond heteronuclear correlations in natural products at nanomole scale by i-HMBC
Wang, Yunyi, Fan, Aili, Cohen, Ryan D., Dal Poggetto, Guilherme, Huang, Zheng, Yang, Haifeng, Martin, Gary E., Sherer, Edward C., Reibarkh, Mikhail, Wang, Xiao
Published in Nature communications (03.04.2023)
Published in Nature communications (03.04.2023)
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Journal Article
Modeling and predicting chiral stationary phase enantioselectivity: An efficient random forest classifier using an optimally balanced training dataset and an aggregation strategy
Piras, Patrick, Sheridan, Robert, Sherer, Edward C., Schafer, Wes, Welch, Christopher J., Roussel, Christian
Published in Journal of separation science (01.03.2018)
Published in Journal of separation science (01.03.2018)
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Journal Article
Machine learning models and performance dependency on 2D chemical descriptor space for retention time prediction of pharmaceuticals
Beck, Armen G., Fine, Jonathan, Aggarwal, Pankaj, Regalado, Erik L., Levorse, Dorothy, De Jesus Silva, Jordan, Sherer, Edward C.
Published in Journal of Chromatography A (16.08.2024)
Published in Journal of Chromatography A (16.08.2024)
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Journal Article
Application of Machine Learning and Reaction Optimization for the Iterative Improvement of Enantioselectivity of Cinchona-Derived Phase Transfer Catalysts
Lexa, Katrina W, Belyk, Kevin M, Henle, Jeremy, Xiang, Bangping, Sheridan, Robert P, Denmark, Scott E, Ruck, Rebecca T, Sherer, Edward C
Published in Organic process research & development (18.03.2022)
Published in Organic process research & development (18.03.2022)
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Journal Article
Capture of Reactive Monophosphine-Ligated Palladium(0) Intermediates by Mass Spectrometry
Zheng, Qiuling, Liu, Yong, Chen, Qinghao, Hu, Meihong, Helmy, Roy, Sherer, Edward C, Welch, Christopher J, Chen, Hao
Published in Journal of the American Chemical Society (11.11.2015)
Published in Journal of the American Chemical Society (11.11.2015)
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Journal Article
One-Step Regio- and Stereoselective Electrochemical Synthesis of Orexin Receptor Antagonist Oxidative Metabolites
Yao, Huifang, Sherer, Edward C., Lu, Mei, Small, James, Martin, Gary E., Lam, Yu-hong, Chen, Qinghao, Helmy, Roy, Liu, Yong, Chen, Hao
Published in Journal of organic chemistry (18.11.2022)
Published in Journal of organic chemistry (18.11.2022)
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Journal Article
Microscale High-Throughput Experimentation as an Enabling Technology in Drug Discovery: Application in the Discovery of (Piperidinyl)pyridinyl‑1H‑benzimidazole Diacylglycerol Acyltransferase 1 Inhibitors
Cernak, Tim, Gesmundo, Nathan J, Dykstra, Kevin, Yu, Yang, Wu, Zhicai, Shi, Zhi-Cai, Vachal, Petr, Sperbeck, Donald, He, Shuwen, Murphy, Beth Ann, Sonatore, Lisa, Williams, Steven, Madeira, Maria, Verras, Andreas, Reiter, Maud, Lee, Claire Heechoon, Cuff, James, Sherer, Edward C, Kuethe, Jeffrey, Goble, Stephen, Perrotto, Nicholas, Pinto, Shirly, Shen, Dong-Ming, Nargund, Ravi, Balkovec, James, DeVita, Robert J, Dreher, Spencer D
Published in Journal of medicinal chemistry (11.05.2017)
Published in Journal of medicinal chemistry (11.05.2017)
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