Kaixian Chen

Publication Activity (10 Years)

Years Active: 1998-2024
Publications (10 Years): 15

Top Topics

Virtual Screening

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

Briefings Bioinform.

Publications

Fu Xiao, Xiaoyu Ding, Yan Shi, Dingyan Wang, Yitian Wang, Chen Cui, Tingfei Zhu, Kaixian Chen, Ping Xiang, Xiaomin Luo
Application of ensemble learning for predicting GABAA receptor agonists. Comput. Biol. Medicine 169 (2024)
Yitian Wang, Jiacheng Xiong, Fu Xiao, Wei Zhang, Kaiyang Cheng, Jingxin Rao, Buying Niu, Xiaochu Tong, Ning Qu, Runze Zhang, Dingyan Wang, Kaixian Chen, Xutong Li, Mingyue Zheng
LogD7.4 prediction enhanced by transferring knowledge from chromatographic retention time, microscopic pKa and logP. J. Cheminformatics 15 (1) (2023)
Xiaobo Yang, Bei Zhang, Siqi Wang, Ye Lu, Kaixian Chen, Cheng Luo, Aihua Sun, Hao Zhang
OTTM: an automated classification tool for translational drug discovery from omics data. Briefings Bioinform. 24 (5) (2023)
Rui Li, Lin Chen, Xinheng He, Duanhua Cao, Zehong Zhang, Hualiang Jiang, Kaixian Chen, Xi Cheng
Loops Mediate Agonist-Induced Activation of the Stimulator of Interferon Genes Protein. J. Chem. Inf. Model. 63 (23) (2023)
Jiacheng Xiong, Zhaojun Li, Guangchao Wang, Zunyun Fu, Feisheng Zhong, Tingyang Xu, Xiaomeng Liu, Ziming Huang, Xiaohong Liu, Kaixian Chen, Hualiang Jiang, Mingyue Zheng
Multi-instance learning of graph neural networks for aqueous pKa prediction. Bioinform. 38 (3) (2022)
Dingyan Wang, Jie Yu, Lifan Chen, Xutong Li, Hualiang Jiang, Kaixian Chen, Mingyue Zheng, Xiaomin Luo
A hybrid framework for improving uncertainty quantification in deep learning-based QSAR regression modeling. J. Cheminformatics 13 (1) (2021)
Tianbiao Yang, Zhaojun Li, Yingjia Chen, Dan Feng, Guangchao Wang, Zunyun Fu, Xiaoyu Ding, Xiaoqin Tan, Jihui Zhao, Xiaomin Luo, Kaixian Chen, Hualiang Jiang, Mingyue Zheng
DrugSpaceX: a large screenable and synthetically tractable database extending drug space. Nucleic Acids Res. 49 (Database-Issue) (2021)
Chen Cui, Xiaoyu Ding, Dingyan Wang, Lifan Chen, Fu Xiao, Tingyang Xu, Mingyue Zheng, Xiaomin Luo, Hualiang Jiang, Kaixian Chen
Drug repurposing against breast cancer by integrating drug-exposure expression profiles and drug-drug links based on graph neural network. Bioinform. 37 (18) (2021)
Lifan Chen, Xiaoqin Tan, Dingyan Wang, Feisheng Zhong, Xiaohong Liu, Tianbiao Yang, Xiaomin Luo, Kaixian Chen, Hualiang Jiang, Mingyue Zheng, Arne Elofsson
TransformerCPI: improving compound-protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments. Bioinform. 36 (16) (2020)
Zhaoqiang Chen, Xinben Zhang, Cheng Peng, Jinan Wang, Zhijian Xu, Kaixian Chen, Jiye Shi, Weiliang Zhu
D3Pockets: A Method and Web Server for Systematic Analysis of Protein Pocket Dynamics. J. Chem. Inf. Model. 59 (8) (2019)
Zhaojun Li, Xutong Li, Xiaohong Liu, Zunyun Fu, Zhaoping Xiong, Xiaolong Wu, Xiaoqin Tan, Jihui Zhao, Feisheng Zhong, Xiaozhe Wan, Xiaomin Luo, Kaixian Chen, Hualiang Jiang, Mingyue Zheng
KinomeX: a web application for predicting kinome-wide polypharmacology effect of small molecules. Bioinform. 35 (24) (2019)
Haiyan Cai, Ting Wang, Zhuo Yang, Zhijian Xu, Guimin Wang, He-Yao Wang, Weiliang Zhu, Kaixian Chen
Combined Virtual Screening and Substructure Search for Discovery of Novel FABP4 Inhibitors. J. Chem. Inf. Model. 57 (9) (2017)
Jing Xing, Wenchao Lu, Rongfeng Liu, Yulan Wang, Yiqian Xie, Hao Zhang, Zhe Shi, Hao Jiang, Yu-Chih Liu, Kaixian Chen, Hualiang Jiang, Cheng Luo, Mingyue Zheng
Machine-Learning-Assisted Approach for Discovering Novel Inhibitors Targeting Bromodomain-Containing Protein 4. J. Chem. Inf. Model. 57 (7) (2017)
Yuan Xu, Liyan Yue, Yulan Wang, Jing Xing, Zhifeng Chen, Zhe Shi, Rongfeng Liu, Yu-Chih Liu, Xiaomin Luo, Hualiang Jiang, Kaixian Chen, Cheng Luo, Mingyue Zheng
Discovery of Novel Inhibitors Targeting the Menin-Mixed Lineage Leukemia Interface Using Pharmacophore- and Docking-Based Virtual Screening. J. Chem. Inf. Model. 56 (9) (2016)
Shijie Chen, Linjuan Li, Yantao Chen, Junchi Hu, Jingqiu Liu, Yu-Chih Liu, Rongfeng Liu, Yuanyuan Zhang, Fanwang Meng, Kongkai Zhu, Junyan Lu, Mingyue Zheng, Kaixian Chen, Jin Zhang, Hualiang Jiang, Zhiyi Yao, Cheng Luo
Identification of Novel Disruptor of Telomeric Silencing 1-like (DOT1L) Inhibitors through Structure-Based Virtual Screening and Biological Assays. J. Chem. Inf. Model. 56 (3) (2016)
Jianlong Peng, Jing Lu, Qiancheng Shen, Mingyue Zheng, Xiaomin Luo, Weiliang Zhu, Hualiang Jiang, Kaixian Chen
site of metabolism prediction for human UGT-catalyzed reactions. Bioinform. 30 (3) (2014)
Xian Liu, Yuan Xu, Shanshan Li, Yulan Wang, Jianlong Peng, Cheng Luo, Xiaomin Luo, Mingyue Zheng, Kaixian Chen, Hualiang Jiang
In Silico target fishing: addressing a "Big Data" problem by ligand-based similarity rankings with data fusion. J. Cheminformatics 6 (1) (2014)
Jing Lu, Jianlong Peng, Jinan Wang, Qiancheng Shen, Yi Bi, Likun Gong, Mingyue Zheng, Xiaomin Luo, Weiliang Zhu, Hualiang Jiang, Kaixian Chen
Estimation of acute oral toxicity in rat using local lazy learning. J. Cheminformatics 6 (1) (2014)
Zhijian Xu, Zhuo Yang, Yingtao Liu, Yunxiang Lu, Kaixian Chen, Weiliang Zhu
Halogen Bond: Its Role beyond Drug-Target Binding Affinity for Drug Discovery and Development. J. Chem. Inf. Model. 54 (1) (2014)
Yong Wang, Jing Lu, Fei Wang, Qiancheng Shen, Mingyue Zheng, Xiaomin Luo, Weiliang Zhu, Hualiang Jiang, Kaixian Chen
Estimation of Carcinogenicity Using Molecular Fragments Tree. J. Chem. Inf. Model. 52 (8) (2012)
Jing Lu, Mingyue Zheng, Yong Wang, Qiancheng Shen, Xiaomin Luo, Hualiang Jiang, Kaixian Chen
Fragment-based prediction of skin sensitization using recursive partitioning. J. Comput. Aided Mol. Des. 25 (9) (2011)
Dongsheng Li, Jiannong Cao, Xicheng Lu, Kaixian Chen
Efficient Range Query Processing in Peer-to-Peer Systems. IEEE Trans. Knowl. Data Eng. 21 (1) (2009)
Xiaoyu Zhao, Xiaofeng Liu, Yuanyuan Wang, Zhi Chen, Ling Kang, Hailei Zhang, Xiaomin Luo, Weiliang Zhu, Kaixian Chen, Honglin Li, Xicheng Wang, Hualiang Jiang
An Improved PMF Scoring Function for Universally Predicting the Interactions of a Ligand with Protein, DNA, and RNA. J. Chem. Inf. Model. 48 (7) (2008)
Zhenting Gao, Honglin Li, Hailei Zhang, Xiaofeng Liu, Ling Kang, Xiaomin Luo, Weiliang Zhu, Kaixian Chen, Xicheng Wang, Hualiang Jiang
PDTD: a web-accessible protein database for drug target identification. BMC Bioinform. 9 (2008)
Zhili Zuo, Chen Gang, Hanjun Zou, Puah Chum Mok, Weiliang Zhu, Kaixian Chen, Hualiang Jiang
Why does beta-secretase zymogen possess catalytic activity? Molecular modeling and molecular dynamics simulation studies. Comput. Biol. Chem. 31 (3) (2007)
Honglin Li, Zhenting Gao, Ling Kang, Hailei Zhang, Kun Yang, Kunqian Yu, Xiaomin Luo, Weiliang Zhu, Kaixian Chen, Jianhua Shen, Xicheng Wang, Hualiang Jiang
TarFisDock: a web server for identifying drug targets with docking approach. Nucleic Acids Res. 34 (Web-Server-Issue) (2006)
Mingyue Zheng, Zhiguo Liu, Chunxia Xue, Weiliang Zhu, Kaixian Chen, Xiaomin Luo, Hualiang Jiang
Mutagenic probability estimation of chemical compounds by a novel molecular electrophilicity vector and support vector machine. Bioinform. 22 (17) (2006)
Mingyue Zheng, Kunqian Yu, Hong Liu, Xiaomin Luo, Kaixian Chen, Weiliang Zhu, Hualiang Jiang
QSAR analyses on avian influenza virus neuraminidase inhibitors using CoMFA, CoMSIA, and HQSAR. J. Comput. Aided Mol. Des. 20 (9) (2006)
Suxin Zheng, Xiaomin Luo, Gang Chen, Weiliang Zhu, Jianhua Shen, Kaixian Chen, Hualiang Jiang
A New Rapid and Effective Chemistry Space Filter in Recognizing a Druglike Database. J. Chem. Inf. Model. 45 (4) (2005)
DongXiang Liu, Hualiang Jiang, Kaixian Chen, RuYun Ji
A New Approach to Design Virtual Combinatorial Library with Genetic Algorithm Based on 3D Grid Property. J. Chem. Inf. Comput. Sci. 38 (2) (1998)