| Title | Regio-selectivity prediction with a machine-learned reaction representation and on-the-fly quantum mechanical descriptors |
| Publication Type | Journal Article |
| Year of Publication | 2021 |
| Authors | Guan Y, Coley CW, Wu H, Ranasinghe D, Heid E, Struble TJ, Pattanaik L, Green WH, Jensen KF |
| Journal | Chemical Science |
| Volume | 12 |
| Pagination | 2198-2208 |
| URL | https://doi.org/10.1039/D0SC04823B |
| DOI | 10.1039/D0SC04823B |
Green Research Group
Fundamental and Applied Chemical Kinetics
