| Publication date | Communities | Collections | Article title | Author(s) | Journal/Conference |
|---|---|---|---|---|---|
| 3 Sep 2024 | Others | Experimental Drug Development Centre | Regio-MPNN: predicting regioselectivity for general metal-catalyzed cross-coupling reactions using a chemical knowledge informed message passing neural network | Baochen Li, Yuru Liu, Haibin Sun, Rentao Zhang, Yongli Xie, Klement Foo, Frankie S. Mak, Ruimao Zhang, Tianshu Yu, Sen Lin, Peng Wang, Xiaoxue Wang | Digital Discovery |