报告题目：基于AI的药物发现: 机遇与挑战
报告时间：12月2日19:00
报告地点：线上（腾讯会议478-824-273）
报告人：侯廷军 浙江大学 教授
报告摘要：
人工智能（Artificial Intelligence, AI）在药物发现中的兴起，将成为未来药物研发的关键核心技术之一。从药物靶点相互作用建模到药物重定位，AI扩展了科学家的能力，帮助更快地将新药带给患者。当前AI应用于药物研发即AIDD（Artificial Intelligence Drug Discovery）还处于初始阶段，需要发展药物研发专用的AI新技术，并与传统的药物分子设计和实验技术紧密结合，才能真正赋能药物研发。
个人简介：
侯廷军浙江大学药学院求是特聘教授，国家万人计划领军人才。长期围绕计算机辅助药物设计中的核心问题展开前沿交叉学科研究，在Nature Machine Intelligence、Nature Communications、Chemical Reviews、Science Advances、Advanced Sciences、PNAS、ACS Central Science、Nucleic Acids Research、Briefings in Bioinformatics、Journal of Medicinal Chemistry等知名期刊发表SCI论文400余篇，引用2万余次，H因子71；获授权专利和软件著作权40余项。任中国化学会计算机化学专业委员会副主任委员兼秘书长，Briefings in Bioinformatics、Journal of Cheminformatics、Journal of Chemical Information and Modeling等14种SCI期刊编委或顾问编委。获科睿唯安全球高被引科学家、爱思唯尔中国高被引学者、药明康德生命化学研究奖、中国化学会青年计算化学家奖等荣誉和学术奖项。
代表作：
1. Rui Shi, Peichen Pan, Rui Lv, Chongqing Ma, Enhui Wu, Ruochen Guo, Zhihao Zhao, Hexing Song, Joe Zhou, Yang Liu, Guoqiang Xu, Tingjun Hou*, Zhenhui Kang*, Jian Liu*, High-throughput glycolytic inhibitor discovery targeting glioblastoma by graphite dots-assisted LDI mass spectrometry, Science Advances, 2022, 8, eabl4923.
2. Qing Ye, Chang-Yu Hsieh, Ziyi Yang, Yu Kang, Jiming Chen, Dongsheng Cao*, Shibo He*, Tingjun Hou*, A unified drug-target interaction prediction framework based on knowledge graph and recommendation system, Nature Communications, 2021, 12, 6775.
3. Gaoqi Weng, Dan Li, Yu Kang*, Tingjun Hou*, Integrative modeling of PROTAC-mediated ternary complexes, Journal of Medicinal Chemistry, 2021, 64, 16271-16281.
4. Jike Wang, Chang-Yu Hsieh, Mingyang Wang, Xiaorui Wang, Zhenxing Wu, Dejun Jiang, Benben Liao, Xujun Zhang, Bo Yang, Qiaojun He, Dongsheng Cao*, Xi Chen*, Tingjun Hou*, Multi-constraint molecular generation based on conditional transformer, knowledge distillation and reinforcement learning, Nature Machine Intelligence, 2021, 3, 914-922.
5. Yongchang Xu, Haiyi Chen, Huimin Zhang, Saif Ullah, Tingjun Hou*, Youjun Feng*, The MCR-3 inside linker appears as a facilitator of colistin resistance, Cell Reports, 2021, 35, 109135.
6. Guoli Xiong, Zhenxing Wu, Jiacai Yi, Li Fu, Zhijiang Yang, Changyu Hsieh, Mingzhu Yin, Xiangxiang Zeng, Chengkun Wu, Aiping Lu, Xiang Chen, Tingjun Hou*, Dongsheng Cao*, ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties, Nucleic Acids Research, 2021, 49(W1), W5-W14.