Towards global reaction feasibility and robustness prediction with high throughput data and bayesian deep learning

H Haowen Zhong Y Yilan Liu H Haibin Sun Y Yuru Liu R Rentao Zhang B Baochen Li Y Yi Yang Y Yuqing Huang (State Key Laboratory of Semiconductor Physics and Chip Technologies, Institute of Semiconductors) F Fei Yang F Frankie S. Mak K Klement Foo S Sen Lin (State Key Laboratory of Chemistry for NBC Hazards Protection, College of Chemistry) T Tianshu Yu P Peng Wang X Xiaoxue Wang