Zengrui Wu

Orcid: 0000-0003-3095-6006

According to our database1, Zengrui Wu authored at least 26 papers between 2012 and 2024.

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

Timeline

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Bibliography

2024
Network-Based Methods and Their Applications in Drug Discovery.
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

2023
Pharmaceutical Cocrystal Discovery via 3D-SMINBR: A New Network Recommendation Tool Augmented by 3D Molecular Conformations.
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

Identification of vital chemical information via visualization of graph neural networks.
Briefings Bioinform., January, 2023

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

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

MetaADEDB 2.0: a comprehensive database on adverse drug events.
Bioinform., 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

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

Correction to "admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties".
J. Chem. Inf. Model., 2019

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

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
Adverse Drug Events: Database Construction and in Silico Prediction.
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
admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties.
J. Chem. Inf. Model., 2012


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