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2018

#1 2018

Modified rivaroxaban microparticles for solid state properties improvement based on drug-protein/polymer supramolecular interactions

作者: Ning Chen, Peiwen Di, Shangqi Ning, Wenjun Jiang, Qiufang Jing, Guobin Ren, Yan Liu, Yun Tang, Zhongyu Xu, Guixia Liu*, Fuzheng Ren*

期刊: Powder Technol.

信息: 2018 | Vol.344 | 819–829

#2 2018

ADMET-score – a comprehensive scoring function for evaluation of chemical drug-likeness

作者: Longfei Guan, Hongbin Yang, Yingchun Cai, Lixia Sun, Peiwen Di, Weihua Li, Guixia Liu, Yun Tang*

期刊: MedChemComm.

信息: 2018 | 10(1) | 148-157

#3 2018

Prediction of Farnesoid X Receptor Disruptors with Machine Learning Methods

作者: Yue Chen, Hongbin Yang, Zengrui Wu, Guixia Liu, Yun Tang, Weihua Li*

期刊: Chem. Res. Toxicol.

信息: 2018 | 31(11) | 1128-1137

#4 2018

Network-Based Methods for Prediction of Drug-Target Interactions

作者: Zengrui Wu, Weihua Li, Guixia Liu, Yun Tang*

期刊: Front. Pharmacol.

信息: 2018 | Vol.9 | 1134

#5 2018

ADMETopt: A Web Server for ADMET Optimization in Drug Design via Scaffold Hopping

作者: Hongbin Yang, Lixia Sun, Zhuang Wang, Weihua Li, Guixia Liu, Yun Tang*

期刊: J. Chem. Inf. Model.

信息: 2018 | 58(10) | 2051-2056

#6 2018

Computational Insight Into Vitamin K1 ω-Hydroxylation by Cytochrome P450 4F2

作者: Junhao Li, Hongxiao Zhang, Guixia Liu, Yun Tang, Yaoquan Tu*, Weihua Li*

期刊: Front. Pharmacol.

信息: 2018 | Vol.9 | 1065

#7 2018

admetSAR 2

作者: Hongbin Yang, Chaofeng Lou, Lixia Sun, Jie Li, Yingchun Cai, Zhuang Wang, Weihua Li, Guixia Liu, Yun Tang*

期刊: 0: web-service for prediction and optimization of chemical ADMET properties. Bioinformatics.

信息: 2018 | 35(6) | 1067-1069

#8 2018

In Silico Prediction of Blood–Brain Barrier Permeability of Compounds by Machine Learning and Resampling Methods

作者: Zhuang Wang, Hongbin Yang, Zengrui Wu, Tianduanyi Wang, Weihua Li, Yun Tang*, Guixia Liu*

期刊: ChemMedChem.

信息: 2018 | 13(20) | 2189–2201

#9 2018

In silico estimation of chemical aquatic toxicity on crustaceans using chemical category methods

作者: Qianqian Cao, Lin Liu, Hongbin Yang, Yingchun Cai, Weihua Li, Guixia Liu, Philip W Lee, Yun Tang*

期刊: Environ. Sci.: Processes Impacts

信息: 2018 | 20(9) | 1234-1243

#10 2018

Identification of Nontoxic Substructures: A New Strategy to Avoid Potential Toxicity Risk

作者: Hongbin Yang, Lixia Sun, Weihua Li, Guixia Liu, Yun Tang*

期刊: Toxicol. Sci.

信息: 2018 | 165(2) | 396–407

#11 2018

A Computational Systems Pharmacology Approach to Investigate Molecular Mechanisms of Herbal Formula Tian-Ma-Gou-Teng-Yin for Treatment of Alzheimer's Disease

作者: Tianduanyi Wang, Zengrui Wu, Lixia Sun, Weihua Li, Guixia Liu, Yun Tang*

期刊: Front. Chem.

信息: 2018 | Vol.9 | 668

#12 2018

Lee, Yun Tang*

作者: Yingchun Cai, Hongbin Yang, Weihua Li, Guixia Liu, Philip W

期刊: Multiclassification Prediction of Enzymatic Reactions for Oxidoreductases and Hydrolases Using Reaction Fingerprints and Machine Learning Methods. J. Chem. Inf. Model.

信息: 2018 | 58(6) | 1169-1181

#13 2018

Corrigendum: In Silico Prediction of Chemical Toxicity for Drug Design Using Machine Learning Methods and Structural Alerts

作者: Hongbin Yang, Lixia Sun, Weihua Li, Guixia Liu, Yun Tang*

期刊: Front. Chem.

信息: 2018 | Vol.6 | 129

#14 2018

In Silico Prediction of Chemical Toxicity for Drug Design Using Machine Learning Methods and Structural Alerts

作者: Hongbin Yang, Lixia Sun, Weihua Li, Guixia Liu, Yun Tang*

期刊: Front. Chem.

信息: 2018 | Vol.6 | 30

2017

#1 2017

In silico prediction of chemical genotoxicity using machine learning methods and structural alerts

作者: Defang Fan, Hongbin Yang, Fuxing Li, Lixia Sun, Peiwen Di, Weihua Li, Yun Tang*, Guixia Liu*

期刊: Toxicol. Res.

信息: 2017 | 7(2) | 211-220

#2 2017

Network pharmacological mechanisms of Vernonia anthelmintica (L

作者: Jiye Wang, Hong Chen, Yinyin Wang, Xiaoqin Wang, Hanying Chen, Mei Zhang, Yun Tang*, Bo Zhang*

期刊: ) in the treatment of vitiligo: Isorhamnetin induction of melanogenesis via up-regulation of melanin-biosynthetic genes. BMC Syst. Biol.

信息: 2017 | 11(1) | 103

#3 2017

Computational insights into the G-protein-biased activation and inactivation mechanisms of the μ opioid receptor

作者: Jianxin Cheng, Tao Cheng, Weihua Li, Guixia Liu, Weiliang Zhu, Yun Tang*

期刊: Acta Pharmacol. Sin.

信息: 2017 | 39(1) | 154-164

#4 2017

Quantitative and systems pharmacology 2

作者: Zengrui Wu, Weiqiang Lu, Weiwei Yu, Tianduanyi Wang, Weihua Li, Guixia Liu, Hankun Zhang, Xiufeng Pang, Jin Huang, Mingyao Liu*, Feixiong Cheng*, Yun Tang*

期刊: In silico polypharmacology of G protein-coupled receptor ligands via network-based approaches. Pharmacol. Res.

信息: 2017 | Vol.129 | 400-413

#5 2017

Computational insights into the subtype selectivity and “message-address-efficacy” mechanisms of opioid receptors through JDTic binding and unbinding

作者: Jianxin Cheng, Tao Cheng, Weihua Li, Guixia Liu, Weiliang Zhu, Yun Tang*

期刊: Acta Pharmacol. Sin.

信息: 2017 | 39(3) | 482-491

#6 2017

In Silico Prediction of Compounds Binding to Human Plasma Proteins by QSAR Models

作者: Lixia Sun, Hongbin Yang, Jie Li, Tianduanyi Wang, Weihua Li, Guixia Liu, Yun Tang*

期刊: ChemMedChem.

信息: 2017 | 13(6) | 572–581

#7 2017

Quantitative and Systems Pharmacology

作者: Jiansong Fang, Zengrui Wu, Chuipu Cai, Qi Wang, Yun Tang*, Feixiong Cheng*

期刊: 1. In Silico Prediction of Drug–Target Interactions of Natural Products Enables New Targeted Cancer Therapy. J. Chem. Inf. Model.

信息: 2017 | 57(11) | 2657-2671

#8 2017

In silico prediction of pesticide aquatic toxicity with chemical category approaches

作者: Fuxing Li, Defang Fan, Hao Wang, Hongbin Yang, Weihua Li, Yun Tang*, Guixia Liu*

期刊: Toxicol. Res.

信息: 2017 | 6(6) | 831–842

#9 2017

In silico prediction of chemical subcellular localization via multi-classification methods

作者: Hongbin Yang, Xiao Li, Yingchun Cai, Qin Wang, Weihua Li, Guixia Liu, Yun Tang*

期刊: MedChemComm.

信息: 2017 | 8(6) | 1225-1234

#10 2017

Evaluation of Different Methods for Identification of Structural Alerts Using Chemical Ames Mutagenicity Data Set as a Benchmark

作者: Hongbin Yang, Jie Li, Zengrui Wu, Weihua Li, Guixia Liu, Yun Tang*

期刊: Chem. Res. Toxicol.

信息: 2017 | 30(6) | 1355-1364

#11 2017

Improving the physicochemical properties of bicalutamide by complex formation with bovine serum albumin

作者: Congbin Yang, Peiwen Di, Jinping Fu, Hui Xiong, Qiufang Jing, Guobin Ren, Yun Tang, Wenyun Zheng, Guixia Liu*, Fuzheng Ren*

期刊: Eur. J. Pharm. Sci.

信息: 2017 | Vol.106 | 381-392

#12 2017

In Silico Prediction of Chemicals Binding to Aromatase with Machine Learning Methods

作者: Hanwen Du, Yingchun Cai, Hongbin Yang, Hongxiao Zhang, Yuhan Xue, Guixia Liu, Yun Tang, Weihua Li*

期刊: Chem. Res. Toxicol.

信息: 2017 | 30(5) | 1209-1218

#13 2017

Insights into the molecular mechanisms of Polygonum multiflorum Thunb-induced liver injury: a computational systems toxicology approach

作者: Yinyin Wang, Jie Li, Zengrui Wu, Bo Zhang, Hongbin Yang, Qin Wang, Yingchun Cai, Guixia Liu, Weihua Li, Yun Tang*

期刊: Acta Pharmacol. Sin.

信息: 2017 | 38(5) | 719-732

#14 2017

Computational Investigation of Ligand Binding to the Peripheral Site in CYP3A4: Conformational Dynamics and Inhibitor Discovery

作者: Hanwen Du, Junhao Li, Yingchun Cai, Hongxiao Zhang, Guixia Liu, Yun Tang*, Weihua Li*

期刊: J. Chem. Inf. Model.

信息: 2017 | 57(3) | 616-626

发表论文

2018

Modified rivaroxaban microparticles for solid state properties improvement based on drug-protein/polymer supramolecular interactions

ADMET-score – a comprehensive scoring function for evaluation of chemical drug-likeness

Prediction of Farnesoid X Receptor Disruptors with Machine Learning Methods

Network-Based Methods for Prediction of Drug-Target Interactions

ADMETopt: A Web Server for ADMET Optimization in Drug Design via Scaffold Hopping

Computational Insight Into Vitamin K1 ω-Hydroxylation by Cytochrome P450 4F2

admetSAR 2

In Silico Prediction of Blood–Brain Barrier Permeability of Compounds by Machine Learning and Resampling Methods

In silico estimation of chemical aquatic toxicity on crustaceans using chemical category methods

Identification of Nontoxic Substructures: A New Strategy to Avoid Potential Toxicity Risk

A Computational Systems Pharmacology Approach to Investigate Molecular Mechanisms of Herbal Formula Tian-Ma-Gou-Teng-Yin for Treatment of Alzheimer's Disease

Lee, Yun Tang*

Corrigendum: In Silico Prediction of Chemical Toxicity for Drug Design Using Machine Learning Methods and Structural Alerts

In Silico Prediction of Chemical Toxicity for Drug Design Using Machine Learning Methods and Structural Alerts

2017

In silico prediction of chemical genotoxicity using machine learning methods and structural alerts

Network pharmacological mechanisms of Vernonia anthelmintica (L

Computational insights into the G-protein-biased activation and inactivation mechanisms of the μ opioid receptor

Quantitative and systems pharmacology 2

Computational insights into the subtype selectivity and “message-address-efficacy” mechanisms of opioid receptors through JDTic binding and unbinding

In Silico Prediction of Compounds Binding to Human Plasma Proteins by QSAR Models

Quantitative and Systems Pharmacology

In silico prediction of pesticide aquatic toxicity with chemical category approaches

In silico prediction of chemical subcellular localization via multi-classification methods

Evaluation of Different Methods for Identification of Structural Alerts Using Chemical Ames Mutagenicity Data Set as a Benchmark

Improving the physicochemical properties of bicalutamide by complex formation with bovine serum albumin

In Silico Prediction of Chemicals Binding to Aromatase with Machine Learning Methods

Insights into the molecular mechanisms of Polygonum multiflorum Thunb-induced liver injury: a computational systems toxicology approach

Computational Investigation of Ligand Binding to the Peripheral Site in CYP3A4: Conformational Dynamics and Inhibitor Discovery

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