Predicting reaction conditions from limited data through active transfer learning E Shim, JA Kammeraad, Z Xu, A Tewari, T Cernak, PM Zimmerman Chemical Science 13 (22), 6655-6668, 2022 | 32 | 2022 |
Reinforcing the supply chain of umifenovir and other antiviral drugs with retrosynthetic software Y Lin, Z Zhang, B Mahjour, D Wang, R Zhang, E Shim, A McGrath, Y Shen, ... Nature Communications 12 (1), 7327, 2021 | 23* | 2021 |
Formal Cross-Coupling of Amines and Carboxylic Acids to Form sp3–sp2 Carbon–Carbon Bonds JL Douthwaite, R Zhao, E Shim, B Mahjour, P Zimmerman, T CERNAK Journal of the American Chemical Society 145 (20), 10930-10937, 2023 | 20 | 2023 |
Machine learning strategies for reaction development: Toward the low-data limit E Shim, A Tewari, T Cernak, PM Zimmerman Journal of Chemical Information and Modeling 63 (12), 3659-3668, 2023 | 7 | 2023 |
Stereoselective α-Tertiary Alkylation of N-(Arylacetyl) oxazolidinones E Shim, A Zakarian Synlett 31 (07), 683-686, 2020 | 5 | 2020 |
Adaptive sampling for discovery Z Xu, E Shim, A Tewari, P Zimmerman Advances in Neural Information Processing Systems 35, 1114-1126, 2022 | 2 | 2022 |