论文 - 实验室网站

找到 234 篇论文

2022

#1 2022 12

Development of In Silico Models for Predicting Potential Time-Dependent Inhibitors of Cytochrome P450 3A4

作者: Minjie Xu, Zhou Lu, Zengrui Wu, Minyan Gui, Guixia Liu, Yun Tang*, Weihua Li*

期刊: Molecular Pharmaceutics

信息: 2022 | 20(1) | 194–205

#2 2022 11

In silico prediction of chemical aquatic toxicity by multiple machine learning and deep learning approaches

作者: Minjie Xu, Hongbin Yang, Guixia Liu, Yun Tang, Weihua Li*

期刊: Journal of Applied Toxicology

信息: 2022 | 42(11) | 1766-1776

#3 2022 10

In silico prediction of potential drug-induced nephrotoxicity with machine learning methods

作者: Yuning Gong, Dan Teng, Yimeng Wang, Yaxin Gu, Zengrui Wu, Weihua Li, Yun Tang*, Guixia Liu*

期刊: Journal of Applied Toxicology

信息: 2022 | 42(10) | 1639-1650

#4 2022 09

Drug Repurposing for Newly Emerged Diseases via Network-based Inference on a Gene-disease-drug Network

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

期刊: Molecular Informatics

信息: 2022 | 41(9) | e2200001

#5 2022 09

Profiling prediction of nuclear receptor modulators with multi-task deep learning methods: toward the virtual screening

作者: Jiye Wang, Chaofeng Lou, Guixia Liu, Weihua Li, Zengrui Wu, Yun Tang*

期刊: Briefings in Bioinformatics

信息: 2022 | 23(5) | bbac351

#6 2022 09

In Silico Prediction of Human and Rat Liver Microsomal Stability via Machine Learning Methods

作者: Longqiang Li, Zhou Lu, Guixia Liu, Yun Tang, Weihua Li*

期刊: Chemical Research in Toxicology

信息: 2022 | 35(9) | 1614–1624

#7 2022 08

Prediction of anti-inflammatory peptides by a sequence-based stacking ensemble model named AIPStack

作者: Hua Deng, Chaofeng Lou, Zengrui Wu, Weihua Li, Guixia Liu, Yun Tang*

期刊: iScience

信息: 2022 | 25(9) | 104967

#8 2022 07

In silico prediction of UGT-mediated metabolism in drug-like molecules via graph neural network

作者: Mengting Huang, Chaofeng Lou, Zengrui Wu, Weihua Li, Philip W. Lee, Yun Tang*, Guixia Liu*

期刊: Journal of Cheminformatics

信息: 2022

#9 2022 07

Mechanistic Studies on the Stereoselectivity of FFAR1 Modulators

作者: Dan Teng, Yang Zhou, Yun Tang, Guixia Liu*, Yaoquan Tu*

期刊: Journal of Chemical Information and Modeling

信息: 2022 | 61(15) | 3664–3675

#10 2022 06

Investigation of the mechanism of Shen Qi Wan prescription in the treatment of T2DM via network pharmacology and molecular docking

作者: Piaopiao Zhao, Xiaoxiao Zhang, Yuning Gong, Weihua Li, Zengrui Wu, Yun Tang*, Guixia Liu*

期刊: in Silico Pharmacology

信息: 2022 | 10(9)

#11 2022 05

IDL-PPBopt: A Strategy for Prediction and Optimization of Human Plasma Protein Binding of Compounds via an Interpretable Deep Learning Method

作者: Chaofeng Lou, Hongbin Yang, Jiye Wang, Mengting Huang, Weihua Li, Guixia Liu, Philip W. Lee, Yun Tang*

期刊: Journal of Chemical Information and Modeling

信息: 2022 | 62(11) | 2788–2799

#12 2022 03

ADENet: a novel network-based inference method for prediction of drug adverse events

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

期刊: Briefings in Bioinformatics

信息: 2022 | 23(2) | bbab580

#13 2022 03

A multitask GNN-based interpretable model for discovery of selective JAK inhibitors

作者: Yimeng Wang, Yaxin Gu, Chaofeng Lou, Yuning Gong, Zengrui Wu, Weihua Li, Yun Tang*, Guixia Liu*

期刊: Journal of Cheminformatics

信息: 2022 | 14(1) | 16

#14 2022 02

In Silico Prediction of Potential Drug Combinations for Type 2 Diabetes Mellitus by an Integrated Network and Transcriptome Analysis

作者: Dan Teng, Yuning Gong, Zengrui Wu, Weihua Li, Yun Tang*, Guixia Liu*

期刊: Chemmedchem

信息: 2022 | 17(3) | e202100620

#15 2022 01

Discovery of New Estrogen-Related Receptor α Agonists via a Combination Strategy Based on Shape Screening and Ensemble Docking

作者: Dongping Li, Kexin Jiang, Dan Teng, Zengrui Wu, Weihua Li, Yun Tang*, Rui Wang*, Guixia Liu*

期刊: Journal of Chemical Information and Modeling

信息: 2022 | 62(3) | 486–497

#16 2022 01

wSDTNBI: a novel network-based inference method for virtual screening

作者: Zengrui Wu#, Hui Ma#, Zehui Liu#, Lulu Zheng, Zhuohang Yu, Shuying Cao, Wenqing Fang, Lili Wu, Weihua Li, Guixia Liu, Jin Huang, Yun Tang*

期刊: Chemical Science

信息: 2022 | 13(4) | 1060-1079

2021

#1 2021

Discovery of Natural Products Targeting NQO1 via an Approach Combining Network-Based Inference and Identification of Privileged Substructures

作者: Zengrui Wu, Qiaohui Wang, Hongbin Yang, Jiye Wang, Weihua Li, Guixia Liu, Yi Yang, Yuzheng Zhao*, Yun Tang*

期刊: J. Chem. Inf. Model.

信息: 2021 | 61(5) | 2486-2498

#2 2021

Pathway-Based Drug Repurposing with DPNetinfer: A Method to Predict Drug–Pathway Associations via Network-Based Approaches

作者: Jiye Wang, Zengrui Wu, Yayuan Peng, Weihua Li, Guixia Liu, Yun Tang*

期刊: J. Chem. Inf. Model.

信息: 2021 | 61(5) | 2475-2485

#3 2021

Homotropic Cooperativity of Midazolam Metabolism by Cytochrome P450 3A4: Insight from Computational Studies

作者: Junhao Li, Yue Chen, Yun Tang, Weihua Li*, Yaoquan Tu*

期刊: J. Chem. Inf. Model.

信息: 2021 | 61(5) | 2418-2426

#4 2021

Twin drug design, synthesis and evaluation of diosgenin derivatives as multitargeted agents for the treatment of vascular dementia

作者: Guixiang Yang, Jiamin Sun, Lulu Zheng, Li Zhang, Jie Li, Haixian Gan, Yan Huang, Jin Huang, Xingxing Diao, Yun Tang*, Rui Wang*, Lei Ma*

期刊: Bioorg. Med. Chem.

信息: 2021 | Vol.37 | 116109

#5 2021

Assessment of CYP2C9 Structural Models for Site of Metabolism Prediction

作者: Xiaoxiao Zhang, Minjie Xu, Zengrui Wu, Guixia Liu, Yun Tang, Weihua Li*

期刊: ChemMedChem

信息: 2021 | Vol.DOI | 10

#6 2021

In silico prediction of chemical respiratory toxicity via machine learning

作者: Zhiyuan Wang, Piaopiao Zhao, Xiaoxiao Zhang, Xuan Xu, Weihua Li, Guixia Liu, Yun Tang*

期刊: Comput. Toxicol.

信息: 2021 | Vol.18 | 100155

#7 2021

In silico prediction of mitochondrial toxicity of chemicals using machine learning methods

作者: Piaopiao Zhao, Yayuan Peng, Xuan Xu, Zhiyuan Wang, Zengrui Wu, Weihua Li, Yun Tang*, Guixia Liu*

期刊: J. Appl. Toxicol.

信息: 2021 | Vol.DOI | 10

#8 2021

In silico prediction of chemical acute contact toxicity on honey bees via machine learning methods

作者: Xuan Xu, Piaopiao Zhao, Zhiyuan Wang, Xiaoxiao Zhang, Zengrui Wu, Weihua Li, Yun Tang*, Guixia Liu*

期刊: Toxicol. In Vitro

信息: 2021 | Vol.72 | 105089

#9 2021

Insights into the Molecular Mechanisms of Liuwei Dihuang Decoction via Network Pharmacology

作者: Jianhui Chen, Dan Teng, Zengrui Wu, Weihua Li, Yuqian Feng, Yun Tang*, Guixia Liu*

期刊: Chem. Res. Toxicol.

信息: 2021 | 34(1) | 91-102

发表论文

2022

Development of In Silico Models for Predicting Potential Time-Dependent Inhibitors of Cytochrome P450 3A4

In silico prediction of chemical aquatic toxicity by multiple machine learning and deep learning approaches

In silico prediction of potential drug-induced nephrotoxicity with machine learning methods

Drug Repurposing for Newly Emerged Diseases via Network-based Inference on a Gene-disease-drug Network

Profiling prediction of nuclear receptor modulators with multi-task deep learning methods: toward the virtual screening

In Silico Prediction of Human and Rat Liver Microsomal Stability via Machine Learning Methods

Prediction of anti-inflammatory peptides by a sequence-based stacking ensemble model named AIPStack

In silico prediction of UGT-mediated metabolism in drug-like molecules via graph neural network

Mechanistic Studies on the Stereoselectivity of FFAR1 Modulators

Investigation of the mechanism of Shen Qi Wan prescription in the treatment of T2DM via network pharmacology and molecular docking

IDL-PPBopt: A Strategy for Prediction and Optimization of Human Plasma Protein Binding of Compounds via an Interpretable Deep Learning Method

ADENet: a novel network-based inference method for prediction of drug adverse events

A multitask GNN-based interpretable model for discovery of selective JAK inhibitors

In Silico Prediction of Potential Drug Combinations for Type 2 Diabetes Mellitus by an Integrated Network and Transcriptome Analysis

Discovery of New Estrogen-Related Receptor α Agonists via a Combination Strategy Based on Shape Screening and Ensemble Docking

wSDTNBI: a novel network-based inference method for virtual screening

2021

Discovery of Natural Products Targeting NQO1 via an Approach Combining Network-Based Inference and Identification of Privileged Substructures

Pathway-Based Drug Repurposing with DPNetinfer: A Method to Predict Drug–Pathway Associations via Network-Based Approaches

Homotropic Cooperativity of Midazolam Metabolism by Cytochrome P450 3A4: Insight from Computational Studies

Twin drug design, synthesis and evaluation of diosgenin derivatives as multitargeted agents for the treatment of vascular dementia

Assessment of CYP2C9 Structural Models for Site of Metabolism Prediction

In silico prediction of chemical respiratory toxicity via machine learning

In silico prediction of mitochondrial toxicity of chemicals using machine learning methods

In silico prediction of chemical acute contact toxicity on honey bees via machine learning methods

Insights into the Molecular Mechanisms of Liuwei Dihuang Decoction via Network Pharmacology

年份导航