Guixia Liu

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 73

Top Venues

Journal of chemical information and modeling

Chemical research in toxicology

Journal of applied toxicology : JAT

RNA (New York, N.Y.)

East China University of Science and Technology

Jilin University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

East China University of Science and Technology Sep 01 2004

China

Professor/Dean of Department of Pharmaceutical Sciences :: Department of Pharmaceutical Sciences, School of Pharmacy

University of New Mexico Sep 16 2013 - Sep 17 2014

United States

Visiting Scholar :: Translational Informatics Division, Department of Internal Medicine

Shanghai Institute of Materia Medica Chinese Academy of Sciences Jul 01 2002 - Aug 31 2004

China

Postdoctoral fellow :: Drug Discovery and Design Center

Education History

Jilin University Sep 01 1997 - Jul 01 2002

China

PHD :: Institute of Theoretical Chemistry

Publications

Keyun Zhu, Mengting Huang, Yimeng Wang, Yaxin Gu, Weihua Li, Guixia Liu, Yun Tang
MetaPredictor: in silico prediction of drug metabolites based on deep language models with prompt engineering. Briefings in bioinformatics 25 (5) (2024)
Shang Lou, Zhuohang Yu, Zejun Huang, Haoqiang Wang, Fei Pan, Wei-Hua Li, Guixia Liu, Yun Tang
In Silico Prediction of Chemical Acute Dermal Toxicity Using Explainable Machine Learning Methods. Chemical research in toxicology (2024)
Yanjun Feng, Changda Gong, Jieyu Zhu, Guixia Liu, Yun Tang, Wei-Hua Li
Unraveling the Ligand-Binding Sites of CYP3A4 by Molecular Dynamics Simulations with Solvent Probes. Journal of chemical information and modeling 64 (8) (2024)
Changda Gong, Yanjun Feng, Jieyu Zhu, Guixia Liu, Yun Tang, Wei-Hua Li
Evaluation of machine learning models for cytochrome P450 3A4, 2D6, and 2C9 inhibition. Journal of applied toxicology : JAT 44 (7) (2024)
Zejun Huang, Shang Lou, Haoqiang Wang, Wei-Hua Li, Guixia Liu, Yun Tang
AttentiveSkin: To Predict Skin Corrosion/Irritation Potentials of Chemicals via Explainable Machine Learning Methods. Chemical research in toxicology (2024)
Keyun Zhu, Mengting Huang, Yimeng Wang, Yaxin Gu, Weihua Li, Guixia Liu, Yun Tang
MetaPredictor: in silico prediction of drug metabolites based on deep language models with prompt engineering. Briefings in bioinformatics 25 (5) (2024)
Jiaojiao Fang, Yan Tang, Changda Gong, Zejun Huang, Yanjun Feng, Guixia Liu, Yun Tang, Wei-Hua Li
Prediction of Cytochrome P450 Substrates Using the Explainable Multitask Deep Learning Models. Chemical research in toxicology (2024)
Yiqing Zhou, Ze Wang, Zejun Huang, Wei-Hua Li, Yuanting Chen, Xinxin Yu, Yun Tang, Guixia Liu
In silico prediction of ocular toxicity of compounds using explainable machine learning and deep learning approaches. Journal of applied toxicology : JAT 44 (6) (2024)
Zejun Huang, Shang Lou, Haoqiang Wang, Wei-Hua Li, Guixia Liu, Yun Tang
AttentiveSkin: To Predict Skin Corrosion/Irritation Potentials of Chemicals via Explainable Machine Learning Methods. Chemical research in toxicology 37 (2) (2024)
Yanjun Feng, Changda Gong, Jieyu Zhu, Guixia Liu, Yun Tang, Wei-Hua Li
Unraveling the Ligand-Binding Sites of CYP3A4 by Molecular Dynamics Simulations with Solvent Probes. Journal of chemical information and modeling (2024)
Yanjun Feng, Changda Gong, Jieyu Zhu, Guixia Liu, Yun Tang, Wei-Hua Li
Unraveling the Ligand-Binding Sites of CYP3A4 by Molecular Dynamics Simulations with Solvent Probes. Journal of chemical information and modeling 64 (8) (2024)
Long Chen, Zhuohang Yu, Zengrui Wu, Moran Zhou, Yimeng Wang, Xinxin Yu, Wei-Hua Li, Guixia Liu, Yun Tang
AptaDB: a comprehensive database integrating aptamer-target interactions. RNA (New York, N.Y.) 30 (3) (2024)
Yiqing Zhou, Ze Wang, Zejun Huang, Wei-Hua Li, Yuanting Chen, Xinxin Yu, Yun Tang, Guixia Liu
In silico prediction of ocular toxicity of compounds using explainable machine learning and deep learning approaches. Journal of applied toxicology : JAT 44 (6) (2024)
Zejun Huang, Shang Lou, Haoqiang Wang, Wei-Hua Li, Guixia Liu, Yun Tang
AttentiveSkin: To Predict Skin Corrosion/Irritation Potentials of Chemicals via Explainable Machine Learning Methods. Chemical research in toxicology 37 (2) (2024)
Zejun Huang, Shang Lou, Haoqiang Wang, Wei-Hua Li, Guixia Liu, Yun Tang
AttentiveSkin: To Predict Skin Corrosion/Irritation Potentials of Chemicals via Explainable Machine Learning Methods. Chemical research in toxicology 37 (2) (2024)
Haoqiang Wang, Zejun Huang, Shang Lou, Wei-Hua Li, Guixia Liu, Yun Tang
In Silico Prediction of Skin Sensitization for Compounds via Flexible Evidence Combination Based on Machine Learning and Dempster-Shafer Theory. Chemical research in toxicology 37 (6) (2024)
Yanjun Feng, Changda Gong, Jieyu Zhu, Guixia Liu, Yun Tang, Wei-Hua Li
Unraveling the Ligand-Binding Sites of CYP3A4 by Molecular Dynamics Simulations with Solvent Probes. Journal of chemical information and modeling 64 (8) (2024)
Long Chen, Zhuohang Yu, Zengrui Wu, Moran Zhou, Yimeng Wang, Xinxin Yu, Wei-Hua Li, Guixia Liu, Yun Tang
AptaDB: a comprehensive database integrating aptamer-target interactions. RNA (New York, N.Y.) 30 (3) (2024)
Long Chen, Zhuohang Yu, Zengrui Wu, Moran Zhou, Yimeng Wang, Xinxin Yu, Wei-Hua Li, Guixia Liu, Yun Tang
AptaDB: a comprehensive database integrating aptamer-target interactions. RNA (New York, N.Y.) 30 (3) (2024)
Yiqing Zhou, Ze Wang, Zejun Huang, Wei-Hua Li, Yuanting Chen, Xinxin Yu, Yun Tang, Guixia Liu
In silico prediction of ocular toxicity of compounds using explainable machine learning and deep learning approaches. Journal of applied toxicology : JAT (2024)
Haoqiang Wang, Zejun Huang, Shang Lou, Wei-Hua Li, Guixia Liu, Yun Tang
In Silico Prediction of Skin Sensitization for Compounds via Flexible Evidence Combination Based on Machine Learning and Dempster-Shafer Theory. Chemical research in toxicology (2024)
Shang Lou, Zhuohang Yu, Zejun Huang, Haoqiang Wang, Fei Pan, Wei-Hua Li, Guixia Liu, Yun Tang
In Silico Prediction of Chemical Acute Dermal Toxicity Using Explainable Machine Learning Methods. Chemical research in toxicology 37 (3) (2024)
Long Chen, Zhuohang Yu, Zengrui Wu, Moran Zhou, Yimeng Wang, Xinxin Yu, Wei-Hua Li, Guixia Liu, Yun Tang
AptaDB: a comprehensive database integrating aptamer-target interactions. RNA (New York, N.Y.) 30 (3) (2024)
Yanjun Feng, Changda Gong, Jieyu Zhu, Guixia Liu, Yun Tang, Wei-Hua Li
Unraveling the Ligand-Binding Sites of CYP3A4 by Molecular Dynamics Simulations with Solvent Probes. Journal of chemical information and modeling 64 (8) (2024)
Changda Gong, Yanjun Feng, Jieyu Zhu, Guixia Liu, Yun Tang, Wei-Hua Li
Evaluation of machine learning models for cytochrome P450 3A4, 2D6, and 2C9 inhibition. Journal of applied toxicology : JAT 44 (7) (2024)
Shang Lou, Zhuohang Yu, Zejun Huang, Haoqiang Wang, Fei Pan, Wei-Hua Li, Guixia Liu, Yun Tang
In Silico Prediction of Chemical Acute Dermal Toxicity Using Explainable Machine Learning Methods. Chemical research in toxicology 37 (3) (2024)
Shang Lou, Zhuohang Yu, Zejun Huang, Haoqiang Wang, Fei Pan, Wei-Hua Li, Guixia Liu, Yun Tang
In Silico Prediction of Chemical Acute Dermal Toxicity Using Explainable Machine Learning Methods. Chemical research in toxicology 37 (3) (2024)
Changda Gong, Yanjun Feng, Jieyu Zhu, Guixia Liu, Yun Tang, Wei-Hua Li
Evaluation of machine learning models for cytochrome P450 3A4, 2D6, and 2C9 inhibition. Journal of applied toxicology : JAT (2024)
Jiahao Xu, Zejun Huang, Hao Duan, Weihua Li, Jingyan Zhuang, Le Xiong, Yun Tang, Guixia Liu
In Silico Prediction of ERRα Agonists Based on Combined Features and Stacking Ensemble Method. ChemMedChem (2024)
Changda Gong, Yanjun Feng, Jieyu Zhu, Guixia Liu, Yun Tang, Wei-Hua Li
Evaluation of machine learning models for cytochrome P450 3A4, 2D6, and 2C9 inhibition. Journal of applied toxicology : JAT 44 (7) (2024)
Long Chen, Zhuohang Yu, Zengrui Wu, Moran Zhou, Yimeng Wang, Xinxin Yu, Wei-Hua Li, Guixia Liu, Yun Tang
AptaDB: A Comprehensive Database Integrating Aptamer-Target Interactions. RNA (New York, N.Y.) (2023)
Moran Zhou, Jiamin Sun, Zhuohang Yu, Zengrui Wu, Wei-Hua Li, Guixia Liu, Lei Ma, Rui Wang, Yun Tang
Investigation of Anti-Alzheimer's Mechanisms of Sarsasapogenin Derivatives by Network-Based Combining Structure-Based Methods. Journal of chemical information and modeling 63 (9) (2023)
Yimeng Wang, Mengting Huang, Hua Deng, Weihua Li, Zengrui Wu, Yun Tang, Guixia Liu
Identification of vital chemical information via visualization of graph neural networks. Briefings in bioinformatics 24 (1) (2023)
Yuanting Chen, Xinxin Yu, Wei-Hua Li, Yun Tang, Guixia Liu
In silico prediction of hERG blockers using machine learning and deep learning approaches. Journal of applied toxicology : JAT (2023)
Lulu Zheng, Bin Zhu, Zengrui Wu, Mei Guo, Jinyao Chen, Minghuang Hong, Guixia Liu, Wei-Hua Li, Guo-Bin Ren, Yun Tang
Pharmaceutical Cocrystal Discovery via 3D-SMINBR: A New Network Recommendation Tool Augmented by 3D Molecular Conformations. Journal of chemical information and modeling (2023)
Zhuohang Yu, Zengrui Wu, Ze Wang, Yimeng Wang, Moran Zhou, Wei-Hua Li, Guixia Liu, Yun Tang
Network-Based Methods and Their Applications in Drug Discovery. Journal of chemical information and modeling 64 (1) (2023)
Moran Zhou, Jiamin Sun, Zhuohang Yu, Zengrui Wu, Wei-Hua Li, Guixia Liu, Lei Ma, Rui Wang, Yun Tang
Investigation of Anti-Alzheimer's Mechanisms of Sarsasapogenin Derivatives by Network-Based Combining Structure-Based Methods. Journal of chemical information and modeling (2023)
Zhuohang Yu, Zengrui Wu, Ze Wang, Yimeng Wang, Moran Zhou, Wei-Hua Li, Guixia Liu, Yun Tang
Network-Based Methods and Their Applications in Drug Discovery. Journal of chemical information and modeling (2023)
Moran Zhou, Jiamin Sun, Zhuohang Yu, Zengrui Wu, Wei-Hua Li, Guixia Liu, Lei Ma, Rui Wang, Yun Tang
Investigation of Anti-Alzheimer's Mechanisms of Sarsasapogenin Derivatives by Network-Based Combining Structure-Based Methods. Journal of chemical information and modeling 63 (9) (2023)
Yanjun Feng, Changda Gong, Jieyu Zhu, Guixia Liu, Yun Tang, Wei-Hua Li
Prediction of Sites of Metabolism of CYP3A4 Substrates Utilizing Docking-Derived Geometric Features. Journal of chemical information and modeling (2023)
Yuanting Chen, Xinxin Yu, Wei-Hua Li, Yun Tang, Guixia Liu
In silico prediction of hERG blockers using machine learning and deep learning approaches. Journal of applied toxicology : JAT (2023)
Yuanting Chen, Xinxin Yu, Wei-Hua Li, Yun Tang, Guixia Liu
In silico prediction of hERG blockers using machine learning and deep learning approaches. Journal of applied toxicology : JAT (2023)
Zhuohang Yu, Zengrui Wu, Moran Zhou, Kangjia Cao, Wei-Hua Li, Guixia Liu, Yun Tang
EDC-Predictor: A Novel Strategy for Prediction of Endocrine-Disrupting Chemicals by Integrating Pharmacological and Toxicological Profiles. Environmental science & technology (2023)
Zhuohang Yu, Zengrui Wu, Ze Wang, Yimeng Wang, Moran Zhou, Wei-Hua Li, Guixia Liu, Yun Tang
Network-Based Methods and Their Applications in Drug Discovery. Journal of chemical information and modeling 64 (1) (2023)
Zhuohang Yu, Zengrui Wu, Ze Wang, Yimeng Wang, Moran Zhou, Wei-Hua Li, Guixia Liu, Yun Tang
Network-Based Methods and Their Applications in Drug Discovery. Journal of chemical information and modeling 64 (1) (2023)
Yuanting Chen, Xinxin Yu, Wei-Hua Li, Yun Tang, Guixia Liu
In silico prediction of hERG blockers using machine learning and deep learning approaches. Journal of applied toxicology : JAT (2023)
Longqiang Li, Zhou Lu, Guixia Liu, Yun Tang, Wei-Hua Li
Machine Learning Models to Predict Cytochrome P450 2B6 Inhibitors and Substrates. Chemical research in toxicology (2023)
Yimeng Wang, Mengting Huang, Hua Deng, Weihua Li, Zengrui Wu, Yun Tang, Guixia Liu
Identification of vital chemical information via visualization of graph neural networks. Briefings in bioinformatics 24 (1) (2023)
Minjie Xu, Hongbin Yang, Guixia Liu, Yun Tang, Wei-Hua Li
In silico prediction of chemical aquatic toxicity by multiple machine learning and deep learning approaches. Journal of applied toxicology : JAT 42 (11) (2022)
Yimeng Wang, Mengting Huang, Hua Deng, Weihua Li, Zengrui Wu, Yun Tang, Guixia Liu
Identification of vital chemical information via visualization of graph neural networks. Briefings in bioinformatics (2022)
Yuning Gong, Dan Teng, Yimeng Wang, Yaxin Gu, Zengrui Wu, Wei-Hua Li, Yun Tang, Guixia Liu
In silico prediction of potential drug-induced nephrotoxicity with machine learning methods. Journal of applied toxicology : JAT 42 (10) (2022)
Chaofeng Lou, Hongbin Yang, Jiye Wang, Mengting Huang, Wei-Hua Li, Guixia Liu, Philip W Lee, Yun Tang
IDL-PPBopt: A Strategy for Prediction and Optimization of Human Plasma Protein Binding of Compounds via an Interpretable Deep Learning Method. Journal of chemical information and modeling 62 (11) (2022)
Yimeng Wang, Yaxin Gu, Chaofeng Lou, Yuning Gong, Zengrui Wu, Weihua Li, Yun Tang, Guixia Liu
A multitask GNN-based interpretable model for discovery of selective JAK inhibitors. Journal of cheminformatics 14 (1) (2022)
Dan Teng, Yang Zhou, Yun Tang, Guixia Liu, Yaoquan Tu
Mechanistic Studies on the Stereoselectivity of FFAR1 Modulators. Journal of chemical information and modeling 62 (15) (2022)
Longqiang Li, Zhou Lu, Guixia Liu, Yun Tang, Wei-Hua Li
In Silico Prediction of Human and Rat Liver Microsomal Stability via Machine Learning Methods. Chemical research in toxicology 35 (9) (2022)
Minjie Xu, Zhou Lu, Zengrui Wu, Minyan Gui, Guixia Liu, Yun Tang, Wei-Hua Li
Development of In Silico Models for Predicting Potential Time-Dependent Inhibitors of Cytochrome P450 3A4. Molecular pharmaceutics (2022)
Dongping Li, Kexin Jiang, Dan Teng, Zengrui Wu, Wei-Hua Li, Yun Tang, Rui Wang, Guixia Liu
Discovery of New Estrogen-Related Receptor α Agonists via a Combination Strategy Based on Shape Screening and Ensemble Docking. Journal of chemical information and modeling 62 (3) (2022)
Zengrui Wu, Qiaohui Wang, Hongbin Yang, Jiye Wang, Wei-Hua Li, Guixia Liu, Yi Yang, Yuzheng Zhao, Yun Tang
Discovery of Natural Products Targeting NQO1 via an Approach Combining Network-Based Inference and Identification of Privileged Substructures. Journal of chemical information and modeling 61 (5) (2021)
Lulu Zheng, Bin Zhu, Zengrui Wu, Fang Liang, Minghuang Hong, Guixia Liu, Wei-Hua Li, Guo-Bin Ren, Yun Tang
SMINBR: An Integrated Network and Chemoinformatics Tool Specialized for Prediction of Two-Component Crystal Formation. Journal of chemical information and modeling 61 (9) (2021)
Dan Teng, Yuning Gong, Zengrui Wu, Weihua Li, Yun Tang, Guixia Liu
In Silico Prediction of Potential Drug Combinations for Type 2 Diabetes Mellitus by an Integrated Network and Transcriptome Analysis. ChemMedChem (2021)
Jiye Wang, Zengrui Wu, Yayuan Peng, Wei-Hua Li, Guixia Liu, Yun Tang
Pathway-Based Drug Repurposing with DPNetinfer: A Method to Predict Drug-Pathway Associations via Network-Based Approaches. Journal of chemical information and modeling 61 (5) (2021)
Xiaoxiao Zhang, Piaopiao Zhao, Zhiyuan Wang, Xuan Xu, Guixia Liu, Yun Tang, Wei-Hua Li
In Silico Prediction of CYP2C8 Inhibition with Machine-Learning Methods. Chemical research in toxicology 34 (8) (2021)
Zengrui Wu, Yayuan Peng, Zhuohang Yu, Wei-Hua Li, Guixia Liu, Yun Tang
NetInfer: A Web Server for Prediction of Targets and Therapeutic and Adverse Effects via Network-Based Inference Methods. Journal of chemical information and modeling 60 (8) (2020)
Jianhui Chen, Hongbin Yang, Lan Zhu, Zengrui Wu, Wei-Hua Li, Yun Tang, Guixia Liu
In Silico Prediction of Human Renal Clearance of Compounds Using Quantitative Structure-Pharmacokinetic Relationship Models. Chemical research in toxicology 33 (2) (2020)
Hongbin Yang, Chaofeng Lou, Wei-Hua Li, Guixia Liu, Yun Tang
Computational Approaches to Identify Structural Alerts and Their Applications in Environmental Toxicology and Drug Discovery. Chemical research in toxicology 33 (6) (2020)
Jianhui Chen, Dan Teng, Zengrui Wu, Wei-Hua Li, Yuqian Feng, Yun Tang, Guixia Liu
Insights into the Molecular Mechanisms of Liuwei Dihuang Decoction via Network Pharmacology. Chemical research in toxicology 34 (1) (2020)
Yue Chen, Junhao Li, Zengrui Wu, Guixia Liu, HongLin Li, Yun Tang, Wei-Hua Li
Computational Insight into the Allosteric Activation Mechanism of Farnesoid X Receptor. Journal of chemical information and modeling 60 (3) (2020)
Dan Teng, Jianhui Chen, Dongping Li, Zengrui Wu, Wei-Hua Li, Yun Tang, Guixia Liu
Computational Insights into Molecular Activation and Positive Cooperative Mechanisms of FFAR1 Modulators. Journal of chemical information and modeling 60 (6) (2020)
Dongping Li, Yingchun Cai, Dan Teng, Wei-Hua Li, Yun Tang, Guixia Liu
Computational insights into the interaction mechanisms of estrogen-related receptor alpha with endogenous ligand cholesterol. Chemical biology & drug design 94 (1) (2019)
Changsheng Jiang, Hongbin Yang, Peiwen Di, Weihua Li, Yun Tang, Guixia Liu
In silico prediction of chemical reproductive toxicity using machine learning. Journal of applied toxicology : JAT 39 (6) (2019)
Longfei Guan, Hongbin Yang, Yingchun Cai, Lixia Sun, Peiwen Di, Wei-Hua Li, Guixia Liu, Yun Tang
ADMET-score - a comprehensive scoring function for evaluation of chemical drug-likeness. MedChemComm 10 (1) (2018)
Zhuang Wang, Hongbin Yang, Zengrui Wu, Tianduanyi Wang, Weihua Li, Yun Tang, Guixia Liu
In Silico Prediction of Blood-Brain Barrier Permeability of Compounds by Machine Learning and Resampling Methods. ChemMedChem 13 (20) (2018)
Hongbin Yang, Xiao Li, Yingchun Cai, Qin Wang, Weihua Li, Guixia Liu, Yun Tang
In silico prediction of chemical subcellular localization via multi-classification methods. MedChemComm 8 (6) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Guixia Liu