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Liliana C. Gallegos
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Importance of engineered and learned molecular representations in predicting organic reactivity, selectivity, and chemical properties
LC Gallegos, G Luchini, PC St. John, S Kim, RS Paton
Accounts of Chemical Research 54 (4), 827-836, 2021
862021
Real-time prediction of 1 H and 13 C chemical shifts with DFT accuracy using a 3D graph neural network
Y Guan, SVS Sowndarya, LC Gallegos, PCS John, RS Paton
Chemical Science 12 (36), 12012-12026, 2021
792021
Site-selective photocatalytic functionalization of peptides and proteins at selenocysteine
LJ Dowman, SS Kulkarni, JV Alegre-Requena, AM Giltrap, AR Norman, ...
Nature Communications 13 (1), 6885, 2022
152022
Umpolung Synthesis of Pyridyl Ethers by BiV‐Mediated O‐Arylation of Pyridones
K Ruffell, LC Gallegos, KB Ling, RS Paton, LT Ball
Angewandte Chemie International Edition 61 (51), e202212873, 2022
102022
Mechanistic Studies Yield Improved Protocols for Base-Catalyzed Anti-Markovnikov Alcohol Addition Reactions
C Luo, JV Alegre-Requena, SJ Sujansky, SP Pajk, LC Gallegos, ...
Journal of the American Chemical Society 144 (22), 9586-9596, 2022
82022
Solvent design strategies from computation and statistical modeling
L Gallegos, JVA Requena, R Paton
ACS Fall National Meeting and Exposition Conference Location San Diego, CA, 2019
2019
Combining mechanistic and statistical models for predicting reaction outcomes in organic synthesis
LC Gallegos, RS Paton, A McNally, A Rappé, A Hess
Colorado State University. Libraries, 0
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