Yun Tang
Orcid: 0000-0003-2340-1109Affiliations:
- East China University of Science and Technology, School of Pharmacy, Shanghai, China
According to our database1,
Yun Tang
authored at least 50 papers
between 2010 and 2024.
Collaborative distances:
Collaborative distances:
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Bibliography
2024
DBPP-Predictor: a novel strategy for prediction of chemical drug-likeness based on property profiles.
J. Cheminformatics, December, 2024
J. Chem. Inf. Model., January, 2024
mtADENet: A novel interpretable method integrating multiple types of network-based inference approaches for prediction of adverse drug events.
Comput. Biol. Medicine, January, 2024
XGraphCDS: An explainable deep learning model for predicting drug sensitivity from gene pathways and chemical structures.
Comput. Biol. Medicine, January, 2024
2023
Chemical rules for optimization of chemical mutagenicity via matched molecular pairs analysis and machine learning methods.
J. Cheminformatics, December, 2023
Pharmaceutical Cocrystal Discovery via 3D-SMINBR: A New Network Recommendation Tool Augmented by 3D Molecular Conformations.
J. Chem. Inf. Model., July, 2023
Prediction of Sites of Metabolism of CYP3A4 Substrates Utilizing Docking-Derived Geometric Features.
J. Chem. Inf. Model., July, 2023
Investigation of Anti-Alzheimer's Mechanisms of Sarsasapogenin Derivatives by Network-Based Combining Structure-Based Methods.
J. Chem. Inf. Model., May, 2023
ACP-MLC: A two-level prediction engine for identification of anticancer peptides and multi-label classification of their functional types.
Comput. Biol. Medicine, May, 2023
Identification of vital chemical information via visualization of graph neural networks.
Briefings Bioinform., January, 2023
2022
J. Chem. Inf. Model., 2022
IDL-PPBopt: A Strategy for Prediction and Optimization of Human Plasma Protein Binding of Compounds via an Interpretable Deep Learning Method.
J. Chem. Inf. Model., 2022
Discovery of New Estrogen-Related Receptor α Agonists via a Combination Strategy Based on Shape Screening and Ensemble Docking.
J. Chem. Inf. Model., 2022
J. Cheminformatics, 2022
In silico prediction of UGT-mediated metabolism in drug-like molecules via graph neural network.
J. Cheminformatics, 2022
ADENet: a novel network-based inference method for prediction of drug adverse events.
Briefings Bioinform., 2022
Profiling prediction of nuclear receptor modulators with multi-task deep learning methods: toward the virtual screening.
Briefings Bioinform., 2022
2021
SMINBR: An Integrated Network and Chemoinformatics Tool Specialized for Prediction of Two-Component Crystal Formation.
J. Chem. Inf. Model., 2021
Discovery of Natural Products Targeting NQO1 via an Approach Combining Network-Based Inference and Identification of Privileged Substructures.
J. Chem. Inf. Model., 2021
Pathway-Based Drug Repurposing with DPNetinfer: A Method to Predict Drug-Pathway Associations via Network-Based Approaches.
J. Chem. Inf. Model., 2021
Homotropic Cooperativity of Midazolam Metabolism by Cytochrome P450 3A4: Insight from Computational Studies.
J. Chem. Inf. Model., 2021
Drug repositioning by prediction of drug's anatomical therapeutic chemical code via network-based inference approaches.
Briefings Bioinform., 2021
2020
NetInfer: A Web Server for Prediction of Targets and Therapeutic and Adverse Effects via Network-Based Inference Methods.
J. Chem. Inf. Model., 2020
Computational Insights into Molecular Activation and Positive Cooperative Mechanisms of FFAR1 Modulators.
J. Chem. Inf. Model., 2020
Dissecting the Structural Plasticity and Dynamics of Cytochrome P450 2B4 by Molecular Dynamics Simulations.
J. Chem. Inf. Model., 2020
Computational Insight into the Allosteric Activation Mechanism of Farnesoid X Receptor.
J. Chem. Inf. Model., 2020
2019
Insights into the antineoplastic mechanism of Chelidonium majus via systems pharmacology approach.
Quant. Biol., 2019
In Silico Prediction of Endocrine Disrupting Chemicals Using Single-Label and Multilabel Models.
J. Chem. Inf. Model., 2019
Correction to "admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties".
J. Chem. Inf. Model., 2019
J. Chem. Inf. Model., 2019
admetSAR 2.0: web-service for prediction and optimization of chemical ADMET properties.
Bioinform., 2019
2018
J. Chem. Inf. Model., 2018
Multiclassification Prediction of Enzymatic Reactions for Oxidoreductases and Hydrolases Using Reaction Fingerprints and Machine Learning Methods.
J. Chem. Inf. Model., 2018
2017
Quantitative and Systems Pharmacology. 1. <i>In Silico</i> Prediction of Drug-Target Interactions of Natural Products Enables New Targeted Cancer Therapy.
J. Chem. Inf. Model., November, 2017
Computational Investigation of Ligand Binding to the Peripheral Site in CYP3A4: Conformational Dynamics and Inhibitor Discovery.
J. Chem. Inf. Model., 2017
SDTNBI: an integrated network and chemoinformatics tool for systematic prediction of drug-target interactions and drug repositioning.
Briefings Bioinform., 2017
2014
<i>In Silico</i> Prediction of Chemical Acute Oral Toxicity Using Multi-Classification Methods.
J. Chem. Inf. Model., 2014
2013
J. Chem. Inf. Model., 2013
Prediction of Polypharmacological Profiles of Drugs by the Integration of Chemical, Side Effect, and Therapeutic Space.
J. Chem. Inf. Model., 2013
2012
Prediction of Drug-Target Interactions and Drug Repositioning via Network-Based Inference.
PLoS Comput. Biol., 2012
Unbinding Pathways of GW4064 from Human Farnesoid X Receptor As Revealed by Molecular Dynamics Simulations.
J. Chem. Inf. Model., 2012
Performance Evaluation of 2D Fingerprint and 3D Shape Similarity Methods in Virtual Screening.
J. Chem. Inf. Model., 2012
admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties.
J. Chem. Inf. Model., 2012
2011
Insights into Molecular Basis of Cytochrome P450 Inhibitory Promiscuity of Compounds.
J. Chem. Inf. Model., 2011
Classification of Cytochrome P450 Inhibitors and Noninhibitors Using Combined Classifiers.
J. Chem. Inf. Model., 2011
2010
J. Chem. Inf. Model., 2010
J. Chem. Inf. Model., 2010