Jun Xu

30 papers Journal 29Unranked 1
YearRankTypeTitle / Venue / Authors
2024 J jnl
FerroLigandDB: A Ferroptosis Ligand Database of Structure-Activity Relations.
J. Chem. Inf. Model.
Yating Lin, Jun Xu, Qiong Gu
2024 J jnl
dMXP: A
J. Chem. Inf. Model.
Haopeng Ai, Deyin Wu, Huihao Zhou, Jun Xu, Qiong Gu
2022 J jnl
Glycerol is Released from a New Path in MGL Lipase Catalytic Process.
J. Chem. Inf. Model.
Dongming Lan, Shu Li, Wei Tang, Zexin Zhao, Mupeng Luo, Shuguang Yuan, Jun Xu, Yonghua Wang
2021 J jnl
Kinase Inhibitor Scaffold Hopping with Deep Learning Approaches.
J. Chem. Inf. Model.
Lizhao Hu, Yuyao Yang, Shuangjia Zheng, Jun Xu, Ting Ran, Hongming Chen
2020 J jnl
Perspectives on Supercomputing and Artificial Intelligence Applications in Drug Discovery.
Supercomput. Front. Innov.
Jun Xu, Jiming Ye
2020 J jnl
Predicting Retrosynthetic Reactions Using Self-Corrected Transformer Neural Networks.
J. Chem. Inf. Model.
Shuangjia Zheng, Jiahua Rao, Zhongyue Zhang, Jun Xu, Yuedong Yang
2020 J jnl
Predicting drug-protein interaction using quasi-visual question answering system.
Nat. Mach. Intell.
Shuangjia Zheng, Yongjian Li, Sheng Chen, Jun Xu, Yuedong Yang
2020 J jnl
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.
Shimin Su, Yuyao Yang, Hanlin Gan, Shuangjia Zheng, Fenglong Gu, Chao Zhao, Jun Xu
2020 J jnl
Publisher Correction: Predicting drug-protein interaction using quasi-visual question answering system.
Nat. Mach. Intell.
Shuangjia Zheng, Yongjian Li, Sheng Chen, Jun Xu, Yuedong Yang
2019 J jnl
DeepChemStable: Chemical Stability Prediction with an Attention-Based Graph Convolution Network.
J. Chem. Inf. Model.
Xiuming Li, Xin Yan, Qiong Gu, Huihao Zhou, Di Wu, Jun Xu
2019 J jnl
Identifying Structure-Property Relationships through SMILES Syntax Analysis with Self-Attention Mechanism.
J. Chem. Inf. Model.
Shuangjia Zheng, Xin Yan, Yuedong Yang, Jun Xu
2019 J jnl
Predicting Retrosynthetic Reaction using Self-Corrected Transformer Neural Networks.
CoRR
Shuangjia Zheng, Jiahua Rao, Zhongyue Zhang, Jun Xu, Yuedong Yang
2019 J jnl
QBMG: quasi-biogenic molecule generator with deep recurrent neural network.
J. Cheminformatics
Shuangjia Zheng, Xin Yan, Qiong Gu, Yuedong Yang, Yunfei Du, Yutong Lu, Jun Xu
2019 J jnl
Structurally Selective Mechanism of Liver X Receptor Ligand: In Silico and In Vitro Studies.
J. Chem. Inf. Model.
Peng Ding, Ziyang Chen, Hao Chen, Zizhen Zhang, Zhihong Liu, Xin Yan, Huihao Zhou, Qiong Gu, Chanjuan Li, Jun Xu
2018 J jnl
Discovering new PI3Kα inhibitors with a strategy of combining ligand-based and structure-based virtual screening.
J. Comput. Aided Mol. Des.
Miao Yu, Qiong Gu, Jun Xu
2018 — conf
HHVSF: A Framework to Accelerate Drug-Based High-Throughput Virtual Screening on High-Performance Computers.
SCFA
Pin Chen, Xin Yan, Jiahui Li, Yunfei Du, Jun Xu
2018 J jnl
TCMAnalyzer: A Chemo- and Bioinformatics Web Service for Analyzing Traditional Chinese Medicine.
J. Chem. Inf. Model.
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
2017 J jnl
PTS: a pharmaceutical target seeker.
Database J. Biol. Databases Curation
Peng Ding, Xin Yan, Zhihong Liu, Jiewen Du, Yunfei Du, Yutong Lu, Di Wu, Yuehua Xu, Huihao Zhou, Qiong Gu, Jun Xu
2017 J jnl
Predicting DPP-IV inhibitors with machine learning approaches.
J. Comput. Aided Mol. Des.
Jie Cai, Chanjuan Li, Zhihong Liu, Jiewen Du, Jiming Ye, Qiong Gu, Jun Xu
2016 J jnl
ASDB: a resource for probing protein functions with small molecules.
Bioinform.
Zhihong Liu, Peng Ding, Xin Yan, Minghao Zheng, Huihao Zhou, Yuehua Xu, Yunfei Du, Qiong Gu, Jun Xu
2015 J jnl
Discovering New Acetylcholinesterase Inhibitors by Mining the
J. Chem. Inf. Model.
Lu Cui, Yu Wang, Zhihong Liu, Hongzhuan Chen, Hao Wang, Xinxin Zhou, Jun Xu
2014 J jnl
ChemStable: a web server for rule-embedded naïve Bayesian learning approach to predict compound stability.
J. Comput. Aided Mol. Des.
Zhihong Liu, Minghao Zheng, Xin Yan, Qiong Gu, Johann Gasteiger, Johan Tijhuis, Peter Maas, Jiabo Li, Jun Xu
2014 J jnl
Discovering New Agents Active against Methicillin-Resistant
J. Chem. Inf. Model.
Ling Wang, Xiu Le, Long Li, Yingchen Ju, Zhongxiang Lin, Qiong Gu, Jun Xu
2014 J jnl
gWEGA: GPU-accelerated WEGA for molecular superposition and shape comparison.
J. Comput. Chem.
Xin Yan, Jiabo Li, Qiong Gu, Jun Xu
2013 J jnl
Discovery of New Selective Human Aldose Reductase Inhibitors through Virtual Screening Multiple Binding Pocket Conformations.
J. Chem. Inf. Model.
Ling Wang, Qiong Gu, Xuehua Zheng, Jiming Ye, Zhihong Liu, Jiabo Li, Xiaopeng Hu, Arnold T. Hagler, Jun Xu
2013 J jnl
Enhancing Molecular Shape Comparison by Weighted Gaussian Functions.
J. Chem. Inf. Model.
Xin Yan, Jiabo Li, Zhihong Liu, Minghao Zheng, Hu Ge, Jun Xu
2013 J jnl
Molecular Dynamics-Based Virtual Screening: Accelerating the Drug Discovery Process by High-Performance Computing.
J. Chem. Inf. Model.
Hu Ge, Yu Wang, Chanjuan Li, Nanhao Chen, Yufang Xie, Mengyan Xu, Yingyan He, Xinchun Gu, Ruibo Wu, Qiong Gu, Liang Zeng, Jun Xu
2012 J jnl
On the Value of Homology Models for Virtual Screening: Discovering hCXCR3 Antagonists by Pharmacophore-Based and Structure-Based Approaches.
J. Chem. Inf. Model.
Dane Huang, Qiong Gu, Hu Ge, Jiming Ye, Noeris K. Salam, Arnold T. Hagler, Hongzhuan Chen, Jun Xu
2011 J jnl
A New Protocol for Predicting Novel GSK-3β ATP Competitive Inhibitors.
J. Chem. Inf. Model.
Jiansong Fang, Dane Huang, Wenxia Zhao, Hu Ge, Hai-Bin Luo, Jun Xu
2011 J jnl
Three-Dimensional Pharmacophore Modeling of Liver-X Receptor Agonists.
J. Chem. Inf. Model.
Wenxia Zhao, Qiong Gu, Ling Wang, Hu Ge, Jiabo Li, Jun Xu