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Xiaorui Wang

college of pharmaceutical sciences

15H指数
48论文数
565被引数
收录论文 31
发表时间
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Facilitating structure-based drug discovery with an artificial intelligence-driven virtual screening platform基于人工智能驱动的虚拟筛选平台促进结构导向的药物发现
errNature Protocols
IF16
err2026-06-24
err0
PREAI
errShukai Gu; Xujun Zhang; Mengwu Xiao; Yuntao Qian; Bo Liu; Hao Luo; Hongyan Du; Odin Zhang; Minjie Mou; Tingting Fu; Xiaorui Wang; Jingxuan Ge; Chao Shen; Feng Zhu; Xiaojun Yao; Huanxiang Liu; Tingjun Hou; Yu Kang
err分享
err收藏
Enhancing kinase-inhibitor activity and selectivity prediction through contrastive learning通过对比学习增强激酶抑制剂的活性和选择性预测
errNature Communications
IF15.7
err2025-12-03
err0
errOAAI
errYanan Tian; Ruiqiang Lu; Xiaoqing Gong; Wei Zhao; Yuquan Li; Xiaorui Wang; Xinming Jia; Qin Li; Yuwei Yang; Henry H. Y. Tong; Joel P. Arrais; Xiaojun Yao; Huanxiang Liu
err分享
err收藏
A virtual platform for automated hybrid organic-enzymatic synthesis planning用于自动化混合有机-酶促合成规划的平台
errNature Communications
IF15.7
err2025-11-26
err0
errOAAI
errXiaorui Wang; Xiaodan Yin; Xujun Zhang; Huifeng Zhao; Shukai Gu; Zhenxing Wu; Odin Zhang; Wenjia Qian; Yuansheng Huang; Yuquan Li; Dejun Jiang; Mingyang Wang; Huanxiang Liu; Xiaojun Yao; Chang-Yu Hsieh; Tingjun Hou
err分享
err收藏
SynGFN: learning across chemical space with generative flow-based molecular discoverySynGFN：基于生成流式分子发现的化学空间学习
errNature Computational Science
IF18.3
err2025-11-13
err0
PREAI
errYuchen Zhu; Shuwang Li; Jihong Chen; Donghai Zhao; Xiaorui Wang; Yitong Li; Yifei Liu; Yue Kong; Beichen Zhang; Chang Liu; Tingjun Hou; Chang-Yu Hsieh
err分享
err收藏
Graph Neural Networks in Modern AI-Aided Drug Discovery现代AI辅助药物发现中的图神经网络
errChemical Reviews
IF55.8
err2025-09-17
err0
PREAI
errOdin Zhang; Haitao Lin; Xujun Zhang; Xiaorui Wang; Zhenxing Wu; Qing Ye; Weibo Zhao; Jike Wang; Kejun Ying; Yu Kang; Chang-Yu Hsieh; Tingjun Hou
err分享
err收藏
Protein–peptide docking with a rational and accurate diffusion generative model基于理性精确扩散生成模型的蛋白质-多肽对接
errNature Machine Intelligence
IF23.9
err2025-08-04
err0
PREAI
errHuifeng Zhao; Odin Zhang; Dejun Jiang; Zhenxing Wu; Hongyan Du; Xiaorui Wang; Yihao Zhao; Yuansheng Huang; Jingxuan Ge; Tingjun Hou; Yu Kang
err分享
err收藏
RSGPT: a generative transformer model for retrosynthesis planning pre-trained on ten billion datapointsRSGPT：一种基于十亿级数据预训练的用于逆合成规划的可生成Transformer模型
errNature Communications
IF15.7
err2025-07-31
err0
errOAAI
errYafeng Deng; Xinda Zhao; Hanyu Sun; Yu Chen; Xiaorui Wang; Xi Xue; Liangning Li; Jianfei Song; Chang-Yu Hsieh; Tingjun Hou; Xiandao Pan; Taghrid Saad Alomar; Xiangyang Ji; Xiaojian Wang
err分享
err收藏
HiCLR: Knowledge-Induced Hierarchical Contrastive Learning with Retrosynthesis Prediction Yields a Reaction Foundation ModelHiCLR：一种结合反应预测的知识引导层次对比学习，可生成反应基础模型
errJACS Au
IF8.7
err2025-06-25
err0
errOAAI
errJialu Wu; Yiheng Zhu; Xiaorui Wang; Yitong Li; Mingze Yin; Tianyue Wang; Yuqiang Han; Yu Kang; Yafeng Deng; Jian Wu; Chang-Yu Hsieh; Tingjun Hou
err分享
err收藏
HawkDock version 2: an updated web server to predict and analyze the structures of protein-protein complexesHawkDock版本2：一个用于预测和分析蛋白质-蛋白质复合物结构的更新版网络服务器
errNUCLEIC ACIDS RESEARCH
IF13.1
err2025-05-06
err0
errOAAI
errZhang, Xujun; Jiang, Linlong; Weng, Gaoqi; Shen, Chao; Zhang, Odin; Liu, Mingquan; Zhang, Chen; Gu, Shukai; Wang, Jike; Wang, Xiaorui; Du, Hongyan; Zhang, Hui; Zhang, Ke; Wang, Ercheng
err分享
err收藏
MSC microvesicles loaded G-quadruplex-enhanced circular single-stranded DNA-9 inhibits tumor growth by targeting MDSCs (vol 22, 237, 2024)MSC微囊泡负载的G-四链体增强的环状单链DNA-9通过靶向MDSCs抑制肿瘤生长（卷22，237，2024）
errJOURNAL OF NANOBIOTECHNOLOGY
IF12.6
err2025-03-26
err0
errOAAI
errHan, Jingxia; Qin, Rong; Zheng, Shaoting; Hou, Xiaohui; Wang, Xiaorui; An, Huihui; Li, Zhongwei; Li, Yinan; Zhang, Heng; Zhai, Denghui; Liu, Huijuan; Sun, Tao
err分享
err收藏
Deep Learning-Driven Insights into Enzyme-Substrate Interaction Discovery
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-12-25
err0
PREAI
errQian, Wenjia; Wang, Xiaorui; Huang, Yuansheng; Kang, Yu; Pan, Peichen; Hsieh, Chang-Yu; Hou, Tingjun
err分享
err收藏
ClickGen: Directed exploration of synthesizable chemical space via modular reactions and reinforcement learning
errNATURE COMMUNICATIONS
IF15.7
err2024-11-22
err0
errOAAI
errWang, Mingyang; Li, Shuai; Wang, Jike; Zhang, Odin; Du, Hongyan; Jiang, Dejun; Wu, Zhenxing; Deng, Yafeng; Kang, Yu; Pan, Peichen; Li, Dan; Wang, Xiaorui; Yao, Xiaojun; Hou, Tingjun; Hsieh, Chang-Yu
err分享
err收藏
Leveraging language model for advanced multiproperty molecular optimization via prompt engineering通过即时工程利用语言模型进行高级多属性分子优化
errNATURE MACHINE INTELLIGENCE
IF23.9
err2024-10-21
err0
PREAI
errWu, Zhenxing; Zhang, Odin; Wang, Xiaorui; Fu, Li; Zhao, Huifeng; Wang, Jike; Du, Hongyan; Jiang, Dejun; Deng, Yafeng; Cao, Dongsheng; Hsieh, Chang-Yu; Hou, Tingjun
err分享
err收藏
Multi-modal deep learning enables efficient and accurate annotation of enzymatic active sites
errNATURE COMMUNICATIONS
IF15.7
err2024-08-27
err1
errOAAI
errWang, Xiaorui; Yin, Xiaodan; Jiang, Dejun; Zhao, Huifeng; Wu, Zhenxing; Zhang, Odin; Wang, Jike; Li, Yuquan; Deng, Yafeng; Liu, Huanxiang; Luo, Pei; Han, Yuqiang; Hou, Tingjun; Yao, Xiaojun; Hsieh, Chang-Yu
err分享
err收藏
Structural characterization and mechanisms of macrophage immunomodulatory activity of a novel polysaccharide with a galactose backbone from the processed Polygonati Rhizoma
errJOURNAL OF PHARMACEUTICAL ANALYSIS
IF8.9
err2024-07-01
err4
errOAAI
errSu, Hongna; He, Lili; Yu, Xina; Wang, Yue; Yang, Li; Wang, Xiaorui; Yao, Xiaojun; Luo, Pei; Zhang, Zhifeng
err分享
err收藏
Evaluation of AlphaFold2 Structures for Hit Identification across Multiple Scenarios
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-04-17
err1
PREAI
errGu, Shukai; Yang, Yuwei; Zhao, Yihao; Qiu, Jiayue; Wang, Xiaorui; Tong, Henry Hoi Yee; Liu, Liwei; Wan, Xiaozhe; Liu, Huanxiang; Hou, Tingjun; Kang, Yu
err分享
err收藏
Comprehensive Evaluation of 10 Docking Programs on a Diverse Set of Protein-Cyclic Peptide Complexes
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-03-14
err1
PREAI
errZhao, Huifeng; Jiang, Dejun; Shen, Chao; Zhang, Jintu; Zhang, Xujun; Wang, Xiaorui; Nie, Dou; Hou, Tingjun; Kang, Yu
err分享
err收藏
Identification of mIDH1 R132C/S280F Inhibitors from Natural Products by Integrated Molecular Docking, Pharmacophore Modeling and Molecular Dynamics Simulations
errPHARMACEUTICALS
IF4.8
err2024-03-05
err1
errOAAI
errZhang, Weitong; Bai, Hailong; Wang, Yifan; Wang, Xiaorui; Jin, Ruyi; Guo, Hui; Lai, Huanling; Tang, Yuping; Wang, Yuwei
err分享
err收藏
Enhancing Generic Reaction Yield Prediction through Reaction Condition-Based Contrastive Learning
errRESEARCH
IF10.7
err2024-01-12
err2
errOAAI
errYin, Xiaodan; Hsieh, Chang-Yu; Wang, Xiaorui; Wu, Zhenxing; Ye, Qing; Bao, Honglei; Deng, Yafeng; Chen, Hongming; Luo, Pei; Liu, Huanxiang; Hou, Tingjun; Yao, Xiaojun
err分享
err收藏
Comprehensive assessment of protein loop modeling programs on large-scale datasets: prediction accuracy and efficiency
errBRIEFINGS IN BIOINFORMATICS
IF7.7
err2024-01-03
err3
errOAAI
errWang, Tianyue; Wang, Langcheng; Zhang, Xujun; Shen, Chao; Zhang, Odin; Wang, Jike; Wu, Jialu; Jin, Ruofan; Zhou, Donghao; Chen, Shicheng; Liu, Liwei; Wang, Xiaorui; Hsieh, Chang-Yu; Chen, Guangyong; Pan, Peichen; Kang, Yu; Hou, Tingjun
err分享
err收藏

研究方向

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合作学者
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H 指数: 99 · 论文数: 1.8K
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王君玫 封面图
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曹东升 封面图
曹东升 (Dongsheng Cao)
H 指数: 67 · 论文数: 330
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