人工智能药物设计的新方法研究及应用实践

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2. Tao Shen, Jiale Guo, Zunsheng Han, Gao Zhang, Qingxin Liu, Xinxin Si, Dongmei Wang*, Song Wu*, Jie Xia*, AutoMolDesigner for Antibiotic Discovery: An AI-Based Open-Source Software for Automated Design of Small-Molecule Antibiotics, Journal of Chemical Information and Modeling, 2024, 64(3): 575-583
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4. Tong Qin#, Xuefeng Gao#, Lei Lei, Jing Feng, Wenxuan Zhang, Yuhua Hu, Zhufang Shen, Zhenming Liu, Yi Huan*, Song Wu*, Jie Xia*, Liangren Zhang, Machine learning- and structure-based discovery of a novel chemotype as FXR agonists for potential treatment of nonalcoholic fatty liver disease. European Journal of Medicinal Chemistry, 2023, 252: 115307.
5. Wenjie Xue, Xueyao Li, Guixing Ma, Hongmin Zhang, Ya Chen, Johannes Kirchmair, Jie Xia*, Song Wu*, N-Thiadiazole-4-Hydroxy-2-Quinolone-3-Carboxamides Bearing Heteroaromatic Rings as Novel Antibacterial Agents: Design, Synthesis, Biological Evaluation and Target Identification, European Journal of Medicinal Chemistry, 2020, 188:112022.