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An inductive graph neural network model for compound-protein interaction prediction based on a homogeneous graph 期刊论文
BRIEFINGS IN BIOINFORMATICS, 2022, 卷号: 23, 期号: 3
作者:  Wan, Xiaozhe;  Wu, Xiaolong;  Wang, Dingyan;  Tan, Xiaoqin;  Liu, Xiaohong
Adobe PDF(1543Kb)  |  收藏  |  浏览/下载:341/0  |  提交时间:2022/11/08
Drug target inference by mining transcriptional data using a novel graph convolutional network framework 期刊论文
PROTEIN & CELL, 2022
作者:  Zhong, Feisheng;  Wu, Xiaolong;  Yang, Ruirui;  Li, Xutong;  Wang, Dingyan
Adobe PDF(3167Kb)  |  收藏  |  浏览/下载:452/0  |  提交时间:2021/11/05
Discovery of Pyrazolo[3,4-d]pyridazinone Derivatives as Selective DDR1 Inhibitors via Deep Learning Based Design, Synthesis, and Biological Evaluation 期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2022, 卷号: 65, 期号: 1
作者:  Tan, Xiaoqin;  Li, Chunpu;  Yang, Ruirui;  Zhao, Sen;  Li, Fei
Adobe PDF(12500Kb)  |  收藏  |  浏览/下载:315/0  |  提交时间:2022/03/23
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
Adobe PDF(5789Kb)  |  收藏  |  浏览/下载:82/0  |  提交时间:2022/11/08
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
Adobe PDF(4517Kb)  |  收藏  |  浏览/下载:199/0  |  提交时间:2022/11/08
KinomeX: a web application for predicting kinome-wide polypharmacology effect of small molecules 期刊论文
BIOINFORMATICS, 2019, 卷号: 35, 期号: 24, 页码: 5354-5356
作者:  Li, Zhaojun;  Li, Xutong;  Liu, Xiaohong;  Fu, Zunyun;  Xiong, Zhaoping
Adobe PDF(218Kb)  |  收藏  |  浏览/下载:363/0  |  提交时间:2020/02/21
Deep Neural Network Classifier for Virtual Screening Inhibitors of (S)-Adenosyl-L-Methionine (SAM)-Dependent Methyltransferase Family 期刊论文
FRONTIERS IN CHEMISTRY, 2019, 卷号: 7
作者:  Li, Fei;  Wan, Xiaozhe;  Xing, Jing;  Tan, Xiaoqin;  Li, Xutong
Adobe PDF(2439Kb)  |  收藏  |  浏览/下载:959/263  |  提交时间:2019/06/04
Discovery of novel BET inhibitors by drug repurposing of nitroxoline and its analogues 期刊论文
ORGANIC & BIOMOLECULAR CHEMISTRY, 2017, 卷号: 15, 期号: 44, 页码: 9352-9361
作者:  Jiang, Hao;  Xing, Jing;  Wang, Chen;  Zhang, Hao;  Yue, Liyan
Adobe PDF(1698Kb)  |  收藏  |  浏览/下载:538/1  |  提交时间:2017/12/12
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