Catalytic asymmetric C–H insertion reactions of vinyl carbocations SK Nistanaki, CG Williams, B Wigman, JJ Wong, BC Haas, S Popov, ... Science 378 (6624), 1085-1091, 2022 | 28 | 2022 |
Predicting relative efficiency of amide bond formation using multivariate linear regression BC Haas, AE Goetz, A Bahamonde, JC McWilliams, MS Sigman Proceedings of the National Academy of Sciences 119 (16), e2118451119, 2022 | 28 | 2022 |
Data Science-Enabled Palladium-Catalyzed Enantioselective Aryl-Carbonylation of Sulfonimidamides L van Dijk, BC Haas, NK Lim, K Clagg, JJ Dotson, SM Treacy, ... Journal of the American Chemical Society, 2023 | 19 | 2023 |
Dataset design for building models of chemical reactivity P Raghavan, BC Haas, ME Ruos, J Schleinitz, AG Doyle, SE Reisman, ... ACS Central Science 9 (12), 2196-2204, 2023 | 18 | 2023 |
Enantioselective Sulfonimidamide Acylation via a Cinchona Alkaloid-Catalyzed Desymmetrization: Scope, Data Science, and Mechanistic Investigation BC Haas, NK Lim, J Jermaks, E Gaster, MC Guo, TC Malig, J Werth, ... Journal of the American Chemical Society, 2024 | 3 | 2024 |
Datasets and models enclosed within the paper: Rapid Prediction of Conformationally-Dependent DFT-Level Descriptors using Graph Neural Networks for Carboxylic Acids and Alkyl … B Haas, M Hardy, SS Santhanalakkshmi_Vejaykummar, K Adams, ... figshare, 2024 | 1 | 2024 |
Rapid Prediction of Conformationally-Dependent DFT-Level Descriptors using Graph Neural Networks for Carboxylic Acids and Alkyl Amines B Haas, M Hardy, SS SV, K Adams, C Coley, R Paton, M Sigman | | 2024 |