Li‐Cheng Xu

Predicting Regioselectivity in Radical C−H Functionalization of Heterocycles through Machine Learning

Xin Li, Shuo‐Qing Zhang, Li‐Cheng Xu et al. · Angewandte Chemie International Edition · 2020 · 119 citations

Enantioselectivity prediction of pallada-electrocatalysed C–H activation using transition state knowledge in machine learning

Li‐Cheng Xu, Johanna Frey, Xiaoyan Hou et al. · Nature Synthesis · 2023 · 66 citations · Full text

Chemical Engineering, Engineering, Machine Learning +8

Towards Data‐Driven Design of Asymmetric Hydrogenation of Olefins: Database and Hierarchical Learning

Li‐Cheng Xu, Shuo‐Qing Zhang, Xin Li et al. · Angewandte Chemie International Edition · 2021 · 65 citations

When machine learning meets molecular synthesis

João C. A. Oliveira, Johanna Frey, Shuo‐Qing Zhang et al. · Trends in Chemistry · 2022 · 56 citations · Full text

Engineering, Machine Learning, Molecular Property +5

Reaction performance prediction with an extrapolative and interpretable graph model based on chemical knowledge

Shu-Wen Li, Li‐Cheng Xu, Cheng Zhang et al. · Nature Communications · 2023 · 54 citations · Full text