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CORC

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Generative Models for De Novo Drug Design 期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2021, 卷号: 64, 期号: 19, 页码: 14011-14027
作者:  Tong, Xiaochu;  Liu, Xiaohong;  Tan, Xiaoqin;  Li, Xutong;  Jiang, Jiaxin
收藏  |  浏览/下载：19/0  |  提交时间：2021/12/16
Structure-Based Virtual Screening and Identification of Potential Inhibitors of SARS-CoV-2 S-RBD and ACE2 Interaction 期刊论文
FRONTIERS IN CHEMISTRY, 2021, 卷号: 9, 页码: 12
作者:  Xiong, Jiacheng;  Xiang, Yusen;  Huang, Ziming;  Liu, Xiaohong;  Wang, Mengge
收藏  |  浏览/下载：41/0  |  提交时间：2021/12/01
Crowdsourced identification of multi-target kinase inhibitors for RET- and TAU- based disease: The Multi-Targeting Drug DREAM Challenge 期刊论文
PLOS COMPUTATIONAL BIOLOGY, 2021, 卷号: 17, 期号: 9, 页码: 19
作者:  Xiong, Zhaoping;  Jeon, Minji;  Allaway, Robert J.;  Kang, Jaewoo;  Park, Donghyeon
收藏  |  浏览/下载：22/0  |  提交时间：2021/11/04
Facing small and biased data dilemma in drug discovery with enhanced federated learning approaches 期刊论文
SCIENCE CHINA-LIFE SCIENCES, 2021, 页码: 11
作者:  Xiong, Zhaoping;  Cheng, Ziqiang;  Lin, Xinyuan;  Xu, Chi;  Liu, Xiaohong
收藏  |  浏览/下载：45/0  |  提交时间：2021/11/04
Graph neural networks for automated de novo drug design 期刊论文
DRUG DISCOVERY TODAY, 2021, 卷号: 26, 期号: 6, 页码: 1382-1393
作者:  Xiong, Jiacheng;  Xiong, Zhaoping;  Chen, Kaixian;  Jiang, Hualiang;  Zheng, Mingyue
收藏  |  浏览/下载：19/0  |  提交时间：2021/08/17
Ligand-Promoted Alkynylation of Aryl Ketones: A Practical Tool for Structural Diversity in Drugs and Natural Products 期刊论文
ACS CATALYSIS, 2021, 卷号: 11, 期号: 3, 页码: 1758-1764
作者:  Xu, Hui;  Ma, Biao;  Fu, Zunyun;  Li, Han-Yuan;  Wang, Xing
收藏  |  浏览/下载：16/0  |  提交时间：2021/05/24
Automated design and optimization of multitarget schizophrenia drug candidates by deep learning 期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 204, 页码: 16
作者:  Tan, Xiaoqin;  Jiang, Xiangrui;  He, Yang;  Zhong, Feisheng;  Li, Xutong
收藏  |  浏览/下载：36/0  |  提交时间：2020/12/21
Pushing the Boundaries of Molecular Representation for Drug Discovery with the Graph Attention Mechanism 期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 16, 页码: 8749-8760
作者:  Xiong, Zhaoping;  Wang, Dingyan;  Liu, Xiaohong;  Zhong, Feisheng;  Wan, Xiaozhe
收藏  |  浏览/下载：14/0  |  提交时间：2020/12/21
Deep Learning Enhancing Kinome-Wide Polypharmacology Profiling: Model Construction and Experiment Validation 期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 16, 页码: 8723-8737
作者:  Li, Xutong;  Li, Zhaojun;  Wu, Xiaolong;  Xiong, Zhaoping;  Yang, Tianbiao
收藏  |  浏览/下载：28/0  |  提交时间：2020/12/21
Deep Learning Enhancing Kinome-Wide Polypharmacology Profiling: Model Construction and Experiment Validation 期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 16, 页码: 8723-8737
作者:  Li, Xutong;  Li, Zhaojun;  Wu, Xiaolong;  Xiong, Zhaoping;  Yang, Tianbiao
收藏  |  浏览/下载：23/0  |  提交时间：2020/12/21

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