In silico prediction of UGT-mediated metabolism in drug-like molecules via graph neural network.
- Published in:
- Journal of Cheminformatics, 2022, v. 14, n. 1, p. 1, doi. 10.1186/s13321-022-00626-3
- By:
- Publication type:
- Article
Works by Wu, Zengrui
Results: 27
1
2
A multitask GNN-based interpretable model for discovery of selective JAK inhibitors.
- Published in:
- Journal of Cheminformatics, 2022, v. 14, n. 1, p. 1, doi. 10.1186/s13321-022-00593-9
- By:
- Publication type:
- Article
3
In silico prediction of drug‐induced liver injury with a complementary integration strategy based on hybrid representation.
- Published in:
- Molecular Informatics, 2023, v. 42, n. 7, p. 1, doi. 10.1002/minf.202200284
- By:
- Publication type:
- Article
4
Drug Repurposing for Newly Emerged Diseases via Network‐based Inference on a Gene‐disease‐drug Network.
- Published in:
- Molecular Informatics, 2022, v. 41, n. 9, p. 1, doi. 10.1002/minf.202200001
- By:
- Publication type:
- Article
5
In Silico Estimation of Chemical Carcinogenicity with Binary and Ternary Classification Methods.
- Published in:
- Molecular Informatics, 2015, v. 34, n. 4, p. 228, doi. 10.1002/minf.201400127
- By:
- Publication type:
- Article
6
In silico prediction of potential drug-induced nephrotoxicity with machine learning methods.
- Published in:
- Journal of Applied Toxicology, 2022, v. 42, n. 10, p. 1639, doi. 10.1002/jat.4331
- By:
- Publication type:
- Article
7
In silico prediction of mitochondrial toxicity of chemicals using machine learning methods.
- Published in:
- Journal of Applied Toxicology, 2021, v. 41, n. 10, p. 1518, doi. 10.1002/jat.4141
- By:
- Publication type:
- Article
8
Insights into the antineoplastic mechanism of Chelidonium majus via systems pharmacology approach.
- Published in:
- Quantitative Biology, 2019, v. 7, n. 1, p. 42, doi. 10.1007/s40484-019-0165-x
- By:
- Publication type:
- Article
9
Network-Based Methods for Prediction of Drug-Target Interactions.
- Published in:
- Frontiers in Pharmacology, 2018, p. N.PAG, doi. 10.3389/fphar.2018.01134
- By:
- Publication type:
- Article
10
A Computational Systems Pharmacology Approach to Investigate Molecular Mechanisms of Herbal Formula Tian-Ma-Gou-Teng-Yin for Treatment of Alzheimer’s Disease.
- Published in:
- Frontiers in Pharmacology, 2018, p. N.PAG, doi. 10.3389/fphar.2018.00668
- By:
- Publication type:
- Article
11
Insights into the interaction mechanisms of estrogen-related receptor alpha (ERRα) with ligands via molecular dynamics simulations.
- Published in:
- Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 13, p. 3867, doi. 10.1080/07391102.2019.1666034
- By:
- Publication type:
- Article
12
In Silico Prediction of Potential Drug Combinations for Type 2 Diabetes Mellitus by an Integrated Network and Transcriptome Analysis.
- Published in:
- ChemMedChem, 2022, v. 17, n. 3, p. 1, doi. 10.1002/cmdc.202100620
- By:
- Publication type:
- Article
13
Assessment of CYP2C9 Structural Models for Site of Metabolism Prediction.
- Published in:
- ChemMedChem, 2021, v. 16, n. 11, p. 1754, doi. 10.1002/cmdc.202000964
- By:
- Publication type:
- Article
14
In Silico Prediction of Blood–Brain Barrier Permeability of Compounds by Machine Learning and Resampling Methods.
- Published in:
- ChemMedChem, 2018, v. 13, n. 20, p. 2189, doi. 10.1002/cmdc.201800533
- By:
- Publication type:
- Article
15
Computational insights into the different catalytic activities of CYP3A4 and CYP3A5 toward schisantherin E.
- Published in:
- Chemical Biology & Drug Design, 2019, v. 93, n. 5, p. 854, doi. 10.1111/cbdd.13475
- By:
- Publication type:
- Article
16
Computational prediction of microRNA networks incorporating environmental toxicity and disease etiology.
- Published in:
- Scientific Reports, 2014, p. 1, doi. 10.1038/srep05576
- By:
- Publication type:
- Article
17
Development of a Multi-Target Strategy for the Treatment of Vitiligo via Machine Learning and Network Analysis Methods.
- Published in:
- Frontiers in Pharmacology, 2021, v. 12, p. 1, doi. 10.3389/fphar.2021.754175
- By:
- Publication type:
- Article
18
Insights into the mechanism of Arnebia euchroma on leukemia via network pharmacology approach.
- Published in:
- BMC Complementary Medicine & Therapies, 2020, v. 20, n. 1, p. N.PAG, doi. 10.1186/s12906-020-03106-z
- By:
- Publication type:
- Article
19
MetaADEDB 2.0: a comprehensive database on adverse drug events.
- Published in:
- Bioinformatics, 2021, v. 37, n. 15, p. 2221, doi. 10.1093/bioinformatics/btaa973
- By:
- Publication type:
- Article
20
In silico prediction of hERG potassium channel blockage by chemical category approaches.
- Published in:
- Toxicology Research, 2016, v. 5, n. 2, p. 570, doi. 10.1039/c5tx00294j
- By:
- Publication type:
- Article
21
In silico prediction of chemical mechanism of action via an improved network-based inference method.
- Published in:
- 2016
- By:
- Publication type:
- journal article
22
Identification of vital chemical information via visualization of graph neural networks.
- Published in:
- Briefings in Bioinformatics, 2023, v. 24, n. 1, p. 1, doi. 10.1093/bib/bbac577
- By:
- Publication type:
- Article
23
Profiling prediction of nuclear receptor modulators with multi-task deep learning methods: toward the virtual screening.
- Published in:
- Briefings in Bioinformatics, 2022, v. 23, n. 5, p. 1, doi. 10.1093/bib/bbac351
- By:
- Publication type:
- Article
24
ADENet: a novel network-based inference method for prediction of drug adverse events.
- Published in:
- Briefings in Bioinformatics, 2022, v. 23, n. 2, p. 1, doi. 10.1093/bib/bbab580
- By:
- Publication type:
- Article
25
Drug repositioning by prediction of drug's anatomical therapeutic chemical code via network-based inference approaches.
- Published in:
- Briefings in Bioinformatics, 2021, v. 22, n. 2, p. 2058, doi. 10.1093/bib/bbaa027
- By:
- Publication type:
- Article
26
SDTNBI: an integrated network and chemoinformatics tool for systematic prediction of drug-target interactions and drug repositioning.
- Published in:
- Briefings in Bioinformatics, 2017, v. 18, n. 2, p. 333, doi. 10.1093/bib/bbw012
- By:
- Publication type:
- Article
27
Insights into the molecular mechanisms of Huangqi decoction on liver fibrosis via computational systems pharmacology approaches.
- Published in:
- Chinese Medicine, 2021, v. 16, n. 1, p. 1, doi. 10.1186/s13020-021-00473-8
- By:
- Publication type:
- Article