Jian Du
4PUBLICATIONS
6CO-AUTHORS
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Publications (4)
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|Nov 17, 2025
DFT-ML-Based Property Prediction of Transition Metal Complex Photosensitizers for Photodynamic Therapy.Jingxing Gao, Yachao Dong, Tian Qiu
|Sep 10, 2025
Accelerating Transition State Search and Ligand Screening for Organometallic Catalysis with Reactive Machine Learning Potential.Kun Tang, Yujing Zhao, Lei Zhang
|Jul 10, 2025
Temperature-Dependent Small-Molecule Solubility Prediction Using MoE-Enhanced Directed Message Passing Neural Networks.Lixiang Guo, Yujing Zhao, Qilei Liu
|Nov 04, 2024
Mixture-of-Experts Based Dissociation Kinetic Model for De Novo Design of HSP90 Inhibitors with Prolonged Residence Time.Yujing Zhao, Lei Zhang, Jian Du
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