Jun Xu

Publication Activity (10 Years)

Years Active: 2011-2024
Publications (10 Years): 20

Top Topics

Virtual Screening

Attention Mechanism

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Nat. Mach. Intell.

Publications

Yating Lin, Jun Xu, Qiong Gu
FerroLigandDB: A Ferroptosis Ligand Database of Structure-Activity Relations. J. Chem. Inf. Model. 64 (13) (2024)
Haopeng Ai, Deyin Wu, Huihao Zhou, Jun Xu, Qiong Gu
Small-Molecule 3D Structure Predictor with Graph Attention Networks. J. Chem. Inf. Model. 64 (9) (2024)
Dongming Lan, Shu Li, Wei Tang, Zexin Zhao, Mupeng Luo, Shuguang Yuan, Jun Xu, Yonghua Wang
Glycerol is Released from a New Path in MGL Lipase Catalytic Process. J. Chem. Inf. Model. 62 (9) (2022)
Jun Xu, Jiming Ye
Perspectives on Supercomputing and Artificial Intelligence Applications in Drug Discovery. Supercomput. Front. Innov. 7 (3) (2020)
Shuangjia Zheng, Yongjian Li, Sheng Chen, Jun Xu, Yuedong Yang
Predicting drug-protein interaction using quasi-visual question answering system. Nat. Mach. Intell. 2 (2) (2020)
Shuangjia Zheng, Yongjian Li, Sheng Chen, Jun Xu, Yuedong Yang
Publisher Correction: Predicting drug-protein interaction using quasi-visual question answering system. Nat. Mach. Intell. 2 (9) (2020)
Shuangjia Zheng, Jiahua Rao, Zhongyue Zhang, Jun Xu, Yuedong Yang
Predicting Retrosynthetic Reactions Using Self-Corrected Transformer Neural Networks. J. Chem. Inf. Model. 60 (1) (2020)
Shimin Su, Yuyao Yang, Hanlin Gan, Shuangjia Zheng, Fenglong Gu, Chao Zhao, Jun Xu
Predicting the Feasibility of Copper(I)-Catalyzed Alkyne-Azide Cycloaddition Reactions Using a Recurrent Neural Network with a Self-Attention Mechanism. J. Chem. Inf. Model. 60 (3) (2020)
Xiuming Li, Xin Yan, Qiong Gu, Huihao Zhou, Di Wu, Jun Xu
DeepChemStable: Chemical Stability Prediction with an Attention-Based Graph Convolution Network. J. Chem. Inf. Model. 59 (3) (2019)
Peng Ding, Ziyang Chen, Hao Chen, Zizhen Zhang, Zhihong Liu, Xin Yan, Huihao Zhou, Qiong Gu, Chanjuan Li, Jun Xu
Structurally Selective Mechanism of Liver X Receptor Ligand: In Silico and In Vitro Studies. J. Chem. Inf. Model. 59 (7) (2019)
Shuangjia Zheng, Jiahua Rao, Zhongyue Zhang, Jun Xu, Yuedong Yang
Predicting Retrosynthetic Reaction using Self-Corrected Transformer Neural Networks. CoRR (2019)
Shuangjia Zheng, Xin Yan, Yuedong Yang, Jun Xu
Identifying Structure-Property Relationships through SMILES Syntax Analysis with Self-Attention Mechanism. J. Chem. Inf. Model. 59 (2) (2019)
Shuangjia Zheng, Xin Yan, Qiong Gu, Yuedong Yang, Yunfei Du, Yutong Lu, Jun Xu
QBMG: quasi-biogenic molecule generator with deep recurrent neural network. J. Cheminformatics 11 (1) (2019)
Miao Yu, Qiong Gu, Jun Xu
Discovering new PI3Kα inhibitors with a strategy of combining ligand-based and structure-based virtual screening. J. Comput. Aided Mol. Des. 32 (2) (2018)
Pin Chen, Xin Yan, Jiahui Li, Yunfei Du, Jun Xu
HHVSF: A Framework to Accelerate Drug-Based High-Throughput Virtual Screening on High-Performance Computers. SCFA (2018)
Zhihong Liu, Jiewen Du, Xin Yan, Jiali Zhong, Lu Cui, Jinyuan Lin, Lizhu Zeng, Peng Ding, Pin Chen, Xinxin Zhou, Huihao Zhou, Qiong Gu, Jun Xu
TCMAnalyzer: A Chemo- and Bioinformatics Web Service for Analyzing Traditional Chinese Medicine. J. Chem. Inf. Model. 58 (3) (2018)
Jie Cai, Chanjuan Li, Zhihong Liu, Jiewen Du, Jiming Ye, Qiong Gu, Jun Xu
Predicting DPP-IV inhibitors with machine learning approaches. J. Comput. Aided Mol. Des. 31 (4) (2017)
Peng Ding, Xin Yan, Zhihong Liu, Jiewen Du, Yunfei Du, Yutong Lu, Di Wu, Yuehua Xu, Huihao Zhou, Qiong Gu, Jun Xu
PTS: a pharmaceutical target seeker. Database J. Biol. Databases Curation 2017 (2017)
Zhihong Liu, Peng Ding, Xin Yan, Minghao Zheng, Huihao Zhou, Yuehua Xu, Yunfei Du, Qiong Gu, Jun Xu
ASDB: a resource for probing protein functions with small molecules. Bioinform. 32 (11) (2016)
Lu Cui, Yu Wang, Zhihong Liu, Hongzhuan Chen, Hao Wang, Xinxin Zhou, Jun Xu
Decoction Recipe Data. J. Chem. Inf. Model. 55 (11) (2015)
Zhihong Liu, Minghao Zheng, Xin Yan, Qiong Gu, Johann Gasteiger, Johan Tijhuis, Peter Maas, Jiabo Li, Jun Xu
ChemStable: a web server for rule-embedded naïve Bayesian learning approach to predict compound stability. J. Comput. Aided Mol. Des. 28 (9) (2014)
Ling Wang, Xiu Le, Long Li, Yingchen Ju, Zhongxiang Lin, Qiong Gu, Jun Xu
with Ligand-Based Approaches. J. Chem. Inf. Model. 54 (11) (2014)
Xin Yan, Jiabo Li, Qiong Gu, Jun Xu
gWEGA: GPU-accelerated WEGA for molecular superposition and shape comparison. J. Comput. Chem. 35 (15) (2014)
Hu Ge, Yu Wang, Chanjuan Li, Nanhao Chen, Yufang Xie, Mengyan Xu, Yingyan He, Xinchun Gu, Ruibo Wu, Qiong Gu, Liang Zeng, Jun Xu
Molecular Dynamics-Based Virtual Screening: Accelerating the Drug Discovery Process by High-Performance Computing. J. Chem. Inf. Model. 53 (10) (2013)
Xin Yan, Jiabo Li, Zhihong Liu, Minghao Zheng, Hu Ge, Jun Xu
Enhancing Molecular Shape Comparison by Weighted Gaussian Functions. J. Chem. Inf. Model. 53 (8) (2013)
Ling Wang, Qiong Gu, Xuehua Zheng, Jiming Ye, Zhihong Liu, Jiabo Li, Xiaopeng Hu, Arnold T. Hagler, Jun Xu
Discovery of New Selective Human Aldose Reductase Inhibitors through Virtual Screening Multiple Binding Pocket Conformations. J. Chem. Inf. Model. 53 (9) (2013)
Dane Huang, Qiong Gu, Hu Ge, Jiming Ye, Noeris K. Salam, Arnold T. Hagler, Hongzhuan Chen, Jun Xu
On the Value of Homology Models for Virtual Screening: Discovering hCXCR3 Antagonists by Pharmacophore-Based and Structure-Based Approaches. J. Chem. Inf. Model. 52 (5) (2012)
Wenxia Zhao, Qiong Gu, Ling Wang, Hu Ge, Jiabo Li, Jun Xu
Three-Dimensional Pharmacophore Modeling of Liver-X Receptor Agonists. J. Chem. Inf. Model. 51 (9) (2011)
Jiansong Fang, Dane Huang, Wenxia Zhao, Hu Ge, Hai-Bin Luo, Jun Xu
A New Protocol for Predicting Novel GSK-3β ATP Competitive Inhibitors. J. Chem. Inf. Model. 51 (6) (2011)