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Haibin Sun

2 results in Authors: Haibin Sun

Theoretical and Computational Chemistry

Regio-MPNN: Predicting Regioselectivity for General Metal-Catalyzed Cross-Coupling Reactions using Chemical Knowledge Informed Message Passing Neural Network

Baochen Li, Yuru Liu, Haibin Sun, Rentao Zhang, Yongli Xie, Klement Foo, Frankie Mak, Ruimao Zhang, Tianshu Yu, Sen Lin, Peng Wang, Xiaoxue Wang

Version 3 posted 01 August 2024

1,581

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Organic Chemistry

Towards Global Feasibility Prediction and Robustness Estimation of Organic Chemical Reactions with High Throughput Experimentation Data and Bayesian Deep Learning

Haowen Zhong, Yilan Liu, Haibin Sun, Yuru Liu, Rentao Zhang, Baochen Li, Yi Yang, Yuqing Huang, Fei Yang, Frankie Mak, Klement Foo, Sen Lin, Tianshu Yu, Peng Wang, Xiaoxue Wang

Version 1 posted 01 August 2024

443

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