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Network-Based Methods for Prediction of Drug-Target Interactions

Frontiers in pharmacology, 2018-10, Vol.9, p.1134

2018

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admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties

Journal of chemical information and modeling, 2012-11, Vol.52 (11), p.3099-3105

2012

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In Silico Prediction of Blood–Brain Barrier Permeability of Compounds by Machine Learning and Resampling Methods

ChemMedChem, 2018-10, Vol.13 (20), p.2189-2201

2018

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

Journal of cheminformatics, 2022-03, Vol.14 (1), p.16-16, Article 16

2022

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Adverse Drug Events: Database Construction and in Silico Prediction

Journal of chemical information and modeling, 2013-04, Vol.53 (4), p.744-752

2013

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Prediction of Polypharmacological Profiles of Drugs by the Integration of Chemical, Side Effect, and Therapeutic Space

Journal of chemical information and modeling, 2013-04, Vol.53 (4), p.753-762

2013

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In silico prediction of chemical acute contact toxicity on honey bees via machine learning methods

Toxicology in vitro, 2021-04, Vol.72, p.105089-105089, Article 105089

2021

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Computational prediction of microRNA networks incorporating environmental toxicity and disease etiology

Scientific reports, 2014-07, Vol.4 (1), p.5576, Article 5576

2014

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A Computational Systems Pharmacology Approach to Investigate Molecular Mechanisms of Herbal Formula Tian-Ma-Gou-Teng-Yin for Treatment of Alzheimer's Disease

Frontiers in pharmacology, 2018-06, Vol.9, p.668-668

2018

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Insights into the molecular mechanisms of Huangqi decoction on liver fibrosis via computational systems pharmacology approaches

Chinese medicine, 2021-07, Vol.16 (1), p.1-59, Article 59

2021

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In Silico discovery of aptamers with an enhanced library design strategy

Computational and structural biotechnology journal, 2023-01, Vol.21, p.1005-1013

2023

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Prediction of anti-inflammatory peptides by a sequence-based stacking ensemble model named AIPStack

iScience, 2022-09, Vol.25 (9), p.104967-104967, Article 104967

2022

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In silico prediction of UGT-mediated metabolism in drug-like molecules via graph neural network

Journal of cheminformatics, 2022-07, Vol.14 (1), p.46-46, Article 46

2022

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Development of a Multi-Target Strategy for the Treatment of Vitiligo via Machine Learning and Network Analysis Methods

Frontiers in pharmacology, 2021-09, Vol.12, p.754175-754175

2021

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Insights into the mechanism of Arnebia euchroma on leukemia via network pharmacology approach

BMC complementary medicine and therapies, 2020-10, Vol.20 (1), p.322-15, Article 322

2020

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In silico prediction of hERG potassium channel blockage by chemical category approaches

Toxicology research (Cambridge), 2016-01, Vol.5 (2), p.570-582

2016

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MetaADEDB 2.0: a comprehensive database on adverse drug events

Bioinformatics (Oxford, England), 2021-08, Vol.37 (15), p.2221-2222

2021

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SDTNBI: an integrated network and chemoinformatics tool for systematic prediction of drug-target interactions and drug repositioning

Briefings in bioinformatics, 2017-03, Vol.18 (2), p.333-347

2017

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EDC-Predictor: A Novel Strategy for Prediction of Endocrine-Disrupting Chemicals by Integrating Pharmacological and Toxicological Profiles

Environmental science & technology, 2023-11, Vol.57 (46), p.18013-18025

2023

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Quantitative and Systems Pharmacology. 1. In Silico Prediction of Drug–Target Interactions of Natural Products Enables New Targeted Cancer Therapy

Journal of chemical information and modeling, 2017-11, Vol.57 (11), p.2657-2671

2017

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ADENet: a novel network-based inference method for prediction of drug adverse events

Briefings in bioinformatics, 2022-03, Vol.23 (2)

2022

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Evaluation of Different Methods for Identification of Structural Alerts Using Chemical Ames Mutagenicity Data Set as a Benchmark

Chemical research in toxicology, 2017-06, Vol.30 (6), p.1355-1364

2017

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NetInfer: A Web Server for Prediction of Targets and Therapeutic and Adverse Effects via Network-Based Inference Methods

Journal of chemical information and modeling, 2020-08, Vol.60 (8), p.3687-3691

2020

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Network-Based Methods and Their Applications in Drug Discovery

Journal of chemical information and modeling, 2024-01, Vol.64 (1), p.57-75

2024

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Uncovering the Oxidative Stress Mechanisms and Targets in Alzheimer's Disease by Integrating Phenotypic Screening Data and Polypharmacology Networks

Journal of Alzheimer's disease, 2024-01, Vol.99 (s1), p.S139

2024

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Network-Based Methods for Prediction of Drug-Target Interactions

admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties

In Silico Prediction of Blood–Brain Barrier Permeability of Compounds by Machine Learning and Resampling Methods

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

Adverse Drug Events: Database Construction and in Silico Prediction

Prediction of Polypharmacological Profiles of Drugs by the Integration of Chemical, Side Effect, and Therapeutic Space

In silico prediction of chemical acute contact toxicity on honey bees via machine learning methods

Computational prediction of microRNA networks incorporating environmental toxicity and disease etiology

A Computational Systems Pharmacology Approach to Investigate Molecular Mechanisms of Herbal Formula Tian-Ma-Gou-Teng-Yin for Treatment of Alzheimer's Disease

Insights into the molecular mechanisms of Huangqi decoction on liver fibrosis via computational systems pharmacology approaches

In Silico discovery of aptamers with an enhanced library design strategy

Prediction of anti-inflammatory peptides by a sequence-based stacking ensemble model named AIPStack

In silico prediction of UGT-mediated metabolism in drug-like molecules via graph neural network

Development of a Multi-Target Strategy for the Treatment of Vitiligo via Machine Learning and Network Analysis Methods

Insights into the mechanism of Arnebia euchroma on leukemia via network pharmacology approach

In silico prediction of hERG potassium channel blockage by chemical category approaches

MetaADEDB 2.0: a comprehensive database on adverse drug events

SDTNBI: an integrated network and chemoinformatics tool for systematic prediction of drug-target interactions and drug repositioning

EDC-Predictor: A Novel Strategy for Prediction of Endocrine-Disrupting Chemicals by Integrating Pharmacological and Toxicological Profiles

Quantitative and Systems Pharmacology. 1. In Silico Prediction of Drug–Target Interactions of Natural Products Enables New Targeted Cancer Therapy

ADENet: a novel network-based inference method for prediction of drug adverse events

Evaluation of Different Methods for Identification of Structural Alerts Using Chemical Ames Mutagenicity Data Set as a Benchmark

NetInfer: A Web Server for Prediction of Targets and Therapeutic and Adverse Effects via Network-Based Inference Methods

Network-Based Methods and Their Applications in Drug Discovery

Uncovering the Oxidative Stress Mechanisms and Targets in Alzheimer's Disease by Integrating Phenotypic Screening Data and Polypharmacology Networks

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