ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database
Dong, Jie, Wang, Ning-Ning, Yao, Zhi-Jiang, Zhang, Lin, Cheng, Yan, Ouyang, Defang, Lu, Ai-Ping, Cao, Dong-Sheng
Published in Journal of cheminformatics (26.06.2018)
Published in Journal of cheminformatics (26.06.2018)
Get full text
Journal Article
ADME Properties Evaluation in Drug Discovery: Prediction of Caco‑2 Cell Permeability Using a Combination of NSGA-II and Boosting
Wang, Ning-Ning, Dong, Jie, Deng, Yin-Hua, Zhu, Min-Feng, Wen, Ming, Yao, Zhi-Jiang, Lu, Ai-Ping, Wang, Jian-Bing, Cao, Dong-Sheng
Published in Journal of chemical information and modeling (25.04.2016)
Published in Journal of chemical information and modeling (25.04.2016)
Get full text
Journal Article
PyBioMed: a python library for various molecular representations of chemicals, proteins and DNAs and their interactions
Dong, Jie, Yao, Zhi-Jiang, Zhang, Lin, Luo, Feijun, Lin, Qinlu, Lu, Ai-Ping, Chen, Alex F., Cao, Dong-Sheng
Published in Journal of cheminformatics (20.03.2018)
Published in Journal of cheminformatics (20.03.2018)
Get full text
Journal Article
TargetNet: a web service for predicting potential drug–target interaction profiling via multi-target SAR models
Yao, Zhi-Jiang, Dong, Jie, Che, Yu-Jing, Zhu, Min-Feng, Wen, Ming, Wang, Ning-Ning, Wang, Shan, Lu, Ai-Ping, Cao, Dong-Sheng
Published in Journal of computer-aided molecular design (01.05.2016)
Published in Journal of computer-aided molecular design (01.05.2016)
Get full text
Journal Article
The ups and downs of Poly(ADP-ribose) Polymerase-1 inhibitors in cancer therapy–Current progress and future direction
Zhao, Yue, Zhang, Liu-Xia, Jiang, Ting, Long, Jing, Ma, Zhong-Ye, Lu, Ai-Ping, Cheng, Yan, Cao, Dong-Sheng
Published in European journal of medicinal chemistry (01.10.2020)
Published in European journal of medicinal chemistry (01.10.2020)
Get full text
Journal Article
Improving Docking-Based Virtual Screening Ability by Integrating Multiple Energy Auxiliary Terms from Molecular Docking Scoring
Ye, Wen-Ling, Shen, Chao, Xiong, Guo-Li, Ding, Jun-Jie, Lu, Ai-Ping, Hou, Ting-Jun, Cao, Dong-Sheng
Published in Journal of chemical information and modeling (28.09.2020)
Published in Journal of chemical information and modeling (28.09.2020)
Get full text
Journal Article
Comprehensive comparison of polysaccharides from Ganoderma lucidum and G. sinense: chemical, antitumor, immunomodulating and gut-microbiota modulatory properties
Li, Li-Feng, Liu, Hong-Bing, Zhang, Quan-Wei, Li, Zhi-Peng, Wong, Tin-Long, Fung, Hau-Yee, Zhang, Ji-Xia, Bai, Su-Ping, Lu, Ai-Ping, Han, Quan-Bin
Published in Scientific reports (18.04.2018)
Published in Scientific reports (18.04.2018)
Get full text
Journal Article
Improving structure-based virtual screening performance via learning from scoring function components
Xiong, Guo-Li, Ye, Wen-Ling, Shen, Chao, Lu, Ai-Ping, Hou, Ting-Jun, Cao, Dong-Sheng
Published in Briefings in bioinformatics (20.05.2021)
Published in Briefings in bioinformatics (20.05.2021)
Get full text
Journal Article
Curcumin Suppressed Activation of Dendritic Cells via JAK/STAT/SOCS Signal in Mice with Experimental Colitis
Zhao, Hai-Mei, Xu, Rong, Huang, Xiao-Ying, Cheng, Shao-Min, Huang, Min-Fang, Yue, Hai-Yang, Wang, Xin, Zou, Yong, Lu, Ai-Ping, Liu, Duan-Yong
Published in Frontiers in pharmacology (25.11.2016)
Published in Frontiers in pharmacology (25.11.2016)
Get full text
Journal Article
Chemotaxonomic Classification Applied to the Identification of Two Closely-Related Citrus TCMs Using UPLC-Q-TOF-MS-Based Metabolomics
Zhao, Si-Yu, Liu, Zhen-Li, Shu, Yi-Song, Wang, Meng-Lei, He, Dan, Song, Zhi-Qian, Zeng, Hong-Lian, Ning, Zhang-Chi, Lu, Cheng, Lu, Ai-Ping, Liu, Yuan-Yan
Published in Molecules (Basel, Switzerland) (13.10.2017)
Published in Molecules (Basel, Switzerland) (13.10.2017)
Get full text
Journal Article
Proteomic profiling of dextran sulfate sodium induced acute ulcerative colitis mice serum exosomes and their immunomodulatory impact on macrophages
Wong, Wing-Yan, Lee, Magnolia Muk-Lan, Chan, Brandon Dow, Kam, Richard Kin-Tin, Zhang, Ge, Lu, Ai-Ping, Tai, William Chi-Shing
Published in Proteomics (Weinheim) (01.04.2016)
Published in Proteomics (Weinheim) (01.04.2016)
Get full text
Journal Article
HAMdb: a database of human autophagy modulators with specific pathway and disease information
Wang, Ning-Ning, Dong, Jie, Zhang, Lin, Ouyang, Defang, Cheng, Yan, Chen, Alex F., Lu, Ai-Ping, Cao, Dong-Sheng
Published in Journal of cheminformatics (31.07.2018)
Published in Journal of cheminformatics (31.07.2018)
Get full text
Journal Article
Machine learning to predict metabolic drug interactions related to cytochrome P450 isozymes
Wang, Ning-Ning, Wang, Xiang-Gui, Xiong, Guo-Li, Yang, Zi-Yi, Lu, Ai-Ping, Chen, Xiang, Liu, Shao, Hou, Ting-Jun, Cao, Dong-Sheng
Published in Journal of cheminformatics (15.04.2022)
Published in Journal of cheminformatics (15.04.2022)
Get full text
Journal Article
ChemMORT: an automatic ADMET optimization platform using deep learning and multi-objective particle swarm optimization
Yi, Jia-Cai, Yang, Zi-Yi, Zhao, Wen-Tao, Yang, Zhi-Jiang, Zhang, Xiao-Chen, Wu, Cheng-Kun, Lu, Ai-Ping, Cao, Dong-Sheng
Published in Briefings in bioinformatics (01.03.2024)
Published in Briefings in bioinformatics (01.03.2024)
Get full text
Journal Article
Uncovering the Complexity Mechanism of Different Formulas Treatment for Rheumatoid Arthritis Based on a Novel Network Pharmacology Model
Wang, Ke-xin, Gao, Yao, Lu, Cheng, Li, Yao, Zhou, Bo-ya, Qin, Xue-mei, Du, Guan-hua, Gao, Li, Guan, Dao-gang, Lu, Ai-ping
Published in Frontiers in pharmacology (10.07.2020)
Published in Frontiers in pharmacology (10.07.2020)
Get full text
Journal Article
Reducing false positive rate of docking-based virtual screening by active learning
Wang, Lei, Shi, Shao-Hua, Li, Hui, Zeng, Xiang-Xiang, Liu, Su-You, Liu, Zhao-Qian, Deng, Ya-Feng, Lu, Ai-Ping, Hou, Ting-Jun, Cao, Dong-Sheng
Published in Briefings in bioinformatics (19.01.2023)
Published in Briefings in bioinformatics (19.01.2023)
Get full text
Journal Article
ChemFLuo: a web-server for structure analysis and identification of fluorescent compounds
Yang, Zi-Yi, Dong, Jie, Yang, Zhi-Jiang, Yin, Mingzhu, Jiang, Hong-Li, Lu, Ai-Ping, Chen, Xiang, Hou, Ting-Jun, Cao, Dong-Sheng
Published in Briefings in bioinformatics (01.07.2021)
Published in Briefings in bioinformatics (01.07.2021)
Get full text
Journal Article
MOST: most-similar ligand based approach to target prediction
Huang, Tao, Mi, Hong, Lin, Cheng-Yuan, Zhao, Ling, Zhong, Linda L D, Liu, Feng-Bin, Zhang, Ge, Lu, Ai-Ping, Bian, Zhao-Xiang
Published in BMC bioinformatics (11.03.2017)
Published in BMC bioinformatics (11.03.2017)
Get full text
Journal Article
BioMedR: an R/CRAN package for integrated data analysis pipeline in biomedical study
Dong, Jie, Zhu, Min-Feng, Yun, Yong-Huan, Lu, Ai-Ping, Hou, Ting-Jun, Cao, Dong-Sheng
Published in Briefings in bioinformatics (18.01.2021)
Published in Briefings in bioinformatics (18.01.2021)
Get full text
Journal Article
Curcumin improves regulatory T cells in gut-associated lymphoid tissue of colitis mice
Zhao, Hai-Mei, Xu, Rong, Huang, Xiao-Ying, Cheng, Shao-Min, Huang, Min-Fang, Yue, Hai-Yang, Wang, Xin, Zou, Yong, Lu, Ai-Ping, Liu, Duan-Yong
Published in World journal of gastroenterology : WJG (21.06.2016)
Published in World journal of gastroenterology : WJG (21.06.2016)
Get full text
Journal Article