Nucleophilicity Prediction Using Graph Neural Networks. - Wan Nie; Deguang Liu; Shuaicheng Li 001; Haizhu Yu; Yao Fu (J. Chem. Inf. Model., 2022)

ChemEval: A Comprehensive Multi-Level Chemical Evaluation for Large Language Models. - Yuqing Huang; Rongyang Zhang; Xuesong He; Xuyang Zhi; Hao Wang 076; Xin Li 064; Feiyang Xu; Deguang Liu; Huadong Liang; Yi Li; Jian Cui; Zimu Liu; et al. (CoRR, 2024)

MOL-Mamba: Enhancing Molecular Representation with Structural & Electronic Insights. - Jingjing Hu; Dan Guo 001; Zhan Si; Deguang Liu; Yunfeng Diao; Jing Zhang 052; Jinxing Zhou; Meng Wang 001 (CoRR, 2024)

Data-Based Prediction of Redox Potentials via Introducing Chemical Features into the Transformer Architecture. - Zhan Si; Deguang Liu; Wan Nie; Jingjing Hu; Chen Wang; Tingting Jiang; Haizhu Yu; Yao Fu (J. Chem. Inf. Model., 2024)

MOL-Mamba: Enhancing Molecular Representation with Structural & Electronic Insights. - Jingjing Hu; Dan Guo 001; Zhan Si; Deguang Liu; Yunfeng Diao; Jing Zhang; Jinxing Zhou; Meng Wang 001 (AAAI, 2025)

Benchmarking Multimodal LLMs on Recognition and Understanding over Chemical Tables. - Yitong Zhou; Mingyue Cheng; Qingyang Mao; Yucong Luo; Qi Liu 003; Yupeng Li; Xiaohan Zhang; Deguang Liu; Xin Li 064; Enhong Chen (CoRR, 2025)