| Reproducible molecular networking of untargeted mass spectrometry data using GNPS AT Aron, EC Gentry, KL McPhail, LF Nothias, M Nothias-Esposito, ... Nature protocols 15 (6), 1954-1991, 2020 | 458 | 2020 |
| Limo: Latent inceptionism for targeted molecule generation P Eckmann, K Sun, B Zhao, M Feng, MK Gilson, R Yu Proceedings of machine learning research 162, 5777, 2022 | 31 | 2022 |
| Leak proof PDBBind: A reorganized dataset of protein-ligand complexes for more generalizable binding affinity prediction J Li, X Guan, O Zhang, K Sun, Y Wang, D Bagni, T Head-Gordon arXiv preprint arXiv:2308.09639, 2023 | 9 | 2023 |
| Multifactor quality and safety analysis of antimicrobial drugs sold by online pharmacies that do not require a prescription: Multiphase observational, content analysis, and … TK Mackey, AK Jarmusch, Q Xu, K Sun, A Lu, S Aguirre, J Lim, S Bhakta, ... JMIR Public Health and Surveillance 8 (12), e41834, 2022 | 5 | 2022 |
| Non-invasive skin sampling detects systemically administered drugs in humans M Panitchpakdi, KC Weldon, AK Jarmusch, EC Gentry, A Choi, ... PloS one 17 (7), e0271794, 2022 | 5 | 2022 |
| Mining for Potent Inhibitors through Artificial Intelligence and Physics: A Unified Methodology for Ligand Based and Structure Based Drug Design J Li, O Zhang, K Sun, Y Wang, X Guan, D Bagni, M Haghighatlari, ... Journal of Chemical Information and Modeling, 2024 | | 2024 |
| Computational architecture to generate representations of molecules having targeted properties R Yu, P Eckmann, SUN Kunyang, B Zhao, M Feng, MK Gilson US Patent App. 18/336,696, 2024 | | 2024 |
