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Picture-word order compound protein interaction: Predicting compound-protein interaction using structural images of compounds 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2021, 页码: 10
作者:  Qian, Ying;  Li, Xuelian;  Wu, Jian;  Zhou, Aimin;  Xu, Zhijian
收藏  |  浏览/下载：23/0  |  提交时间：2022/01/04
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
A hybrid framework for improving uncertainty quantification in deep learning-based QSAR regression modeling 期刊论文
JOURNAL OF CHEMINFORMATICS, 2021, 卷号: 13, 期号: 1, 页码: 17
作者:  Wang, Dingyan;  Yu, Jie;  Chen, Lifan;  Li, Xutong;  Jiang, Hualiang
收藏  |  浏览/下载：60/0  |  提交时间：2021/11/04
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
Simultaneous 3D Visualization of the Microvascular and Neural Network in Mouse Spinal Cord Using Synchrotron Radiation Micro-Computed Tomography 期刊论文
NEUROSCIENCE BULLETIN, 2021, 页码: 12
作者:  Jiang, Liyuan;  Li, Chengjun;  Li, Miao;  Yin, Xianzhen;  Wu, Tianding
收藏  |  浏览/下载：22/0  |  提交时间：2021/08/17
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
Helix Matrix Transformation Combined With Convolutional Neural Network Algorithm for Matrix-Assisted Laser Desorption Ionization-Time of Flight Mass Spectrometry-Based Bacterial Identification 期刊论文
FRONTIERS IN MICROBIOLOGY, 2020, 卷号: 11, 页码: 10
作者:  Ling, Jin;  Li, Gaomin;  Shao, Hong;  Wang, Hong;  Yin, Hongrui
收藏  |  浏览/下载：124/0  |  提交时间：2020/12/24
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：35/0  |  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

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