Liliana C. Gallegos

Importance of Engineered and Learned Molecular Representations in Predicting Organic Reactivity, Selectivity, and Chemical Properties

Liliana C. Gallegos, Guilian Luchini, Peter C. St. John et al. · Accounts of Chemical Research · 2021 · 143 citations · Full text

Real-time prediction of ¹ H and ¹³ C chemical shifts with DFT accuracy using a 3D graph neural network

Yanfei Guan, S. V. Shree Sowndarya, Liliana C. Gallegos et al. · Chemical Science · 2021 · 123 citations · Full text

Site-selective photocatalytic functionalization of peptides and proteins at selenocysteine

Luke J. Dowman, Sameer S. Kulkarni, Juan V. Alegre‐Requena et al. · Nature Communications · 2022 · 28 citations · Full text

Mechanistic Studies Yield Improved Protocols for Base-Catalyzed Anti-Markovnikov Alcohol Addition Reactions

Chaosheng Luo, Juan V. Alegre‐Requena, Stephen J. Sujansky et al. · Journal of the American Chemical Society · 2022 · 20 citations

Catalytic Anti-markovnikov Addition, Chemical Engineering, Cross-coupling Reaction +13

Umpolung Synthesis of Pyridyl Ethers by Bi^V‐Mediated O‐Arylation of Pyridones

Katie Ruffell, Liliana C. Gallegos, Kenneth B. Ling et al. · Angewandte Chemie International Edition · 2022 · 20 citations · Full text