Mingyue Zheng

According to our database1, Mingyue Zheng authored at least 28 papers between 2006 and 2022.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.



In proceedings 
PhD thesis 


Online presence:

On csauthors.net:


Multi-instance learning of graph neural networks for aqueous pKa prediction.
Bioinform., 2022

Crowdsourced identification of multi-target kinase inhibitors for RET- and TAU- based disease: The Multi-Targeting Drug DREAM Challenge.
PLoS Comput. Biol., 2021

DrugSpaceX: a large screenable and synthetically tractable database extending drug space.
Nucleic Acids Res., 2021

A hybrid framework for improving uncertainty quantification in deep learning-based QSAR regression modeling.
J. Cheminformatics, 2021

Drug repurposing against breast cancer by integrating drug-exposure expression profiles and drug-drug links based on graph neural network.
Bioinform., 2021

TransformerCPI: improving compound-protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments.
Bioinform., 2020

A Realization Framework of International Image Prediction System for Film and TV Works.
Proceedings of the 13th International Congress on Image and Signal Processing, 2020

KinomeX: a web application for predicting kinome-wide polypharmacology effect of small molecules.
Bioinform., 2019

Discovery of Novel Inhibitors Targeting the Menin-Mixed Lineage Leukemia Interface Using Pharmacophore- and Docking-Based Virtual Screening.
J. Chem. Inf. Model., 2016

Identification of Novel Disruptor of Telomeric Silencing 1-like (DOT1L) Inhibitors through Structure-Based Virtual Screening and Biological Assays.
J. Chem. Inf. Model., 2016

TarPred: a web application for predicting therapeutic and side effect targets of chemical compounds.
Bioinform., 2015

Estimation of acute oral toxicity in rat using local lazy learning.
J. Cheminformatics, 2014

In Silico target fishing: addressing a "Big Data" problem by ligand-based similarity rankings with data fusion.
J. Cheminformatics, 2014

<i>In silico</i> site of metabolism prediction for human UGT-catalyzed reactions.
Bioinform., 2014

Water PMF for predicting the properties of water molecules in protein binding site.
J. Comput. Chem., 2013

A quantum mechanics/molecular mechanics study on the hydrolysis mechanism of New Delhi metallo-β-lactamase-1.
J. Comput. Aided Mol. Des., 2013

Estimation of Carcinogenicity Using Molecular Fragments Tree.
J. Chem. Inf. Model., 2012

Unbinding Pathways of GW4064 from Human Farnesoid X Receptor As Revealed by Molecular Dynamics Simulations.
J. Chem. Inf. Model., 2012

Knowledge-Based Scoring Functions in Drug Design: 3. A Two-Dimensional Knowledge-Based Hydrogen-Bonding Potential for the Prediction of Protein-Ligand Interactions.
J. Chem. Inf. Model., 2011

Computational Screening for Active Compounds Targeting Protein Sequences: Methodology and Experimental Validation.
J. Chem. Inf. Model., 2011

Knowledge-Based Scoring Functions in Drug Design: 2. Can the Knowledge Base Be Enriched?
J. Chem. Inf. Model., 2011

Fragment-based prediction of skin sensitization using recursive partitioning.
J. Comput. Aided Mol. Des., 2011

Knowledge-Based Scoring Functions in Drug Design. 1. Developing a Target-Specific Method for Kinase-Ligand Interactions.
J. Chem. Inf. Model., 2010

An effective docking strategy for virtual screening based on multi-objective optimization algorithm.
BMC Bioinform., 2009

Site of metabolism prediction for six biotransformations mediated by cytochromes P450.
Bioinform., 2009

QSAR analyses on avian influenza virus neuraminidase inhibitors using CoMFA, CoMSIA, and HQSAR.
J. Comput. Aided Mol. Des., 2006

Towards discovering dual functional inhibitors against both wild type and K103N mutant HIV-1 reverse transcriptases: molecular docking and QSAR studies on 4, 1-benzoxazepinone analogues.
J. Comput. Aided Mol. Des., 2006

Mutagenic probability estimation of chemical compounds by a novel molecular electrophilicity vector and support vector machine.
Bioinform., 2006