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Network‐based Approaches in Pharmacology

Molecular informatics, 2017-10, Vol.36 (10), p.n/a

2017

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Computational investigations of hERG channel blockers: New insights and current predictive models

Advanced drug delivery reviews, 2015-06, Vol.86, p.72-82

2015

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Application of artificial intelligence to decode the relationships between smell, olfactory receptors and small molecules

Scientific reports, 2022-11, Vol.12 (1), p.18817-18817, Article 18817

2022

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Smell compounds classification using UMAP to increase knowledge of odors and molecular structures linkages

PloS one, 2021-05, Vol.16 (5), p.e0252486-e0252486

2021

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ChemProt-3.0: a global chemical biology diseases mapping

Database : the journal of biological databases and curation, 2016, Vol.2016, p.bav123

2016

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Temporal Variability in Urinary Phthalate Metabolite Excretion Based on Spot, Morning, and 24‑h Urine Samples: Considerations for Epidemiological Studies

Environmental science & technology, 2013-01, Vol.47 (2), p.958-967

2013

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Development of a chemogenomics library for phenotypic screening

Journal of cheminformatics, 2021-11, Vol.13 (1), p.91-91, Article 91

2021

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Combined Ensemble Docking and Machine Learning in Identification of Therapeutic Agents with Potential Inhibitory Effect on Human CES1

Molecules (Basel, Switzerland), 2019-07, Vol.24 (15), p.2747

2019

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Cellular Uptake and Intracellular Phosphorylation of GS-441524: Implications for Its Effectiveness against COVID-19

Viruses, 2021-07, Vol.13 (7), p.1369

2021

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Assessing network-based methods in the context of system toxicology

Frontiers in pharmacology, 2023-07, Vol.14, p.1225697-1225697

2023

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Integrate mechanistic evidence from new approach methodologies (NAMs) into a read-across assessment to characterise trends in shared mode of action

Toxicology in vitro, 2022-03, Vol.79, p.105269-105269, Article 105269

2022

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Author Correction: CBP-HSF2 structural and functional interplay in Rubinstein-Taybi neurodevelopmental disorder

Nature communications, 2023-09, Vol.14 (1), p.6067-6067, Article 6067

2023

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Capturing a Comprehensive Picture of Biological Events From Adverse Outcome Pathways in the Drug Exposome

Frontiers in public health, 2021-12, Vol.9, p.763962-763962

2021

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CBP-HSF2 structural and functional interplay in Rubinstein-Taybi neurodevelopmental disorder

Nature communications, 2022-11, Vol.13 (1), p.7002-7002, Article 7002

2022

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Analysis of Time-Series Gene Expression Data to Explore Mechanisms of Chemical-Induced Hepatic Steatosis Toxicity

Frontiers in genetics, 2018-09, Vol.9, p.396-396

2018

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In Silico Systems Pharmacology to Assess Drug's Therapeutic and Toxic Effects

Current pharmaceutical design, 2016-01, Vol.22 (46), p.6895

2016

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Development of an adverse drug event network to predict drug toxicity

Current research in toxicology, 2020-06, Vol.1, p.48-55

2020

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Evolution of substrate recognition sites (SRSs) in cytochromes P450 from Apiaceae exemplified by the CYP71AJ subfamily

BMC evolutionary biology, 2015-06, Vol.15, p.122

2015

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Identification of odorant-receptor interactions by global mapping of the human odorome

PloS one, 2014-04, Vol.9 (4), p.e93037-e93037

2014

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ChemProt-2.0: visual navigation in a disease chemical biology database

Nucleic acids research, 2013-01, Vol.41 (Database issue), p.D464

2013

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In silico predictions of hERG channel blockers in drug discovery: from ligand-based and target-based approaches to systems chemical biology

Combinatorial chemistry & high throughput screening, 2011-06, Vol.14 (5), p.375

2011

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Synthesis and biological evaluation of dihydropyrano-[2,3-c]pyrazoles as a new class of PPARγ partial agonists

PloS one, 2017-02, Vol.12 (2), p.e0162642-e0162642

2017

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A steered molecular dynamics study of binding and translocation processes in the GABA transporter

PloS one, 2012-06, Vol.7 (6), p.e39360-e39360

2012

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Emerging Bioinformatics Methods and Resources in Drug Toxicology

Methods in molecular biology (Clifton, N.J.), 2022, Vol.2425, p.133

2022

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Mutational Mapping and Modeling of the Binding Site for (S)-Citalopram in the Human Serotonin Transporter

The Journal of biological chemistry, 2010-01, Vol.285 (3), p.2051-2063

2010

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Network‐based Approaches in Pharmacology

Computational investigations of hERG channel blockers: New insights and current predictive models

Application of artificial intelligence to decode the relationships between smell, olfactory receptors and small molecules

Smell compounds classification using UMAP to increase knowledge of odors and molecular structures linkages

ChemProt-3.0: a global chemical biology diseases mapping

Temporal Variability in Urinary Phthalate Metabolite Excretion Based on Spot, Morning, and 24‑h Urine Samples: Considerations for Epidemiological Studies

Development of a chemogenomics library for phenotypic screening

Combined Ensemble Docking and Machine Learning in Identification of Therapeutic Agents with Potential Inhibitory Effect on Human CES1

Cellular Uptake and Intracellular Phosphorylation of GS-441524: Implications for Its Effectiveness against COVID-19

Assessing network-based methods in the context of system toxicology

Integrate mechanistic evidence from new approach methodologies (NAMs) into a read-across assessment to characterise trends in shared mode of action

Author Correction: CBP-HSF2 structural and functional interplay in Rubinstein-Taybi neurodevelopmental disorder

Capturing a Comprehensive Picture of Biological Events From Adverse Outcome Pathways in the Drug Exposome

CBP-HSF2 structural and functional interplay in Rubinstein-Taybi neurodevelopmental disorder

Analysis of Time-Series Gene Expression Data to Explore Mechanisms of Chemical-Induced Hepatic Steatosis Toxicity

In Silico Systems Pharmacology to Assess Drug's Therapeutic and Toxic Effects

Development of an adverse drug event network to predict drug toxicity

Evolution of substrate recognition sites (SRSs) in cytochromes P450 from Apiaceae exemplified by the CYP71AJ subfamily

Identification of odorant-receptor interactions by global mapping of the human odorome

ChemProt-2.0: visual navigation in a disease chemical biology database

In silico predictions of hERG channel blockers in drug discovery: from ligand-based and target-based approaches to systems chemical biology

Synthesis and biological evaluation of dihydropyrano-[2,3-c]pyrazoles as a new class of PPARγ partial agonists

A steered molecular dynamics study of binding and translocation processes in the GABA transporter

Emerging Bioinformatics Methods and Resources in Drug Toxicology

Mutational Mapping and Modeling of the Binding Site for (S)-Citalopram in the Human Serotonin Transporter

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