| Publication date | Communities | Collections | Article title | Author(s) | Journal/Conference |
|---|---|---|---|---|---|
| 15 May 2025 | Others | Experimental Drug Development Centre | Towards global reaction feasibility and robustness prediction with high throughput data and bayesian deep learning | Haowen Zhong, Yilan Liu, Haibin Sun, Yuru Liu, Rentao Zhang, Baochen Li, Yi Yang, Yuqing Huang, Fei Yang, Frankie S. Mak, Klement Foo, Sen Lin, Tianshu Yu, Peng Wang, Xiaoxue Wang | Nature Communications |
| 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 |