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2020 – today
- 2024
[j30]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: 107958 (2024)- 2023
- [j29]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) - [j28]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): 76 (2023) - [j27]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): 7373-7381 (2023) - 2022
- [j26]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): 792-798 (2022) - 2021
- [j25]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): 2930-2937 (2021) - [j24]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): 69 (2021) - [j23]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): D1170-D1178 (2021) - 2020
- [j22]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): 4406-4414 (2020)
2010 – 2019
- 2019
- [j21]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): 5354-5356 (2019) - [j20]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): 3353-3358 (2019) - 2017
- [j19]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): 1677-1690 (2017) - [j18]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): 2329-2335 (2017) - 2016
- [j17]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): 527-534 (2016) - [j16]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): 1847-1855 (2016) - 2014
- [j15]Jianlong Peng, Jing Lu, Qiancheng Shen, Mingyue Zheng, Xiaomin Luo, Weiliang Zhu, Hualiang Jiang, Kaixian Chen:
In silico site of metabolism prediction for human UGT-catalyzed reactions. Bioinform. 30(3): 398-405 (2014) - [j14]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): 26 (2014) - [j13]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): 33 (2014) - [j12]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): 69-78 (2014) - 2012
- [j11]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): 1994-2003 (2012) - 2011
- [j10]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): 885-893 (2011)
2000 – 2009
- 2009
- [j9]Dongsheng Li, Jiannong Cao, Xicheng Lu, Kaixian Chen:
Efficient Range Query Processing in Peer-to-Peer Systems. IEEE Trans. Knowl. Data Eng. 21(1): 78-91 (2009) - 2008
- [j8]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) - [j7]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): 1438-1447 (2008) - 2007
- [j6]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): 186-195 (2007) - 2006
- [j5]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): 2099-2106 (2006) - [j4]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): 549-566 (2006) - [j3]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): 219-224 (2006) - 2005
- [j2]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): 856-862 (2005)
1990 – 1999
- 1998
- [j1]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): 233-242 (1998)
Coauthor Index
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