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Non-animal methods to predict skin sensitization (II): an assessment of defined approaches

Critical reviews in toxicology, 2018-05, Vol.48 (5), p.359-374

2018

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In Silico Prediction of Physicochemical Properties of Environmental Chemicals Using Molecular Fingerprints and Machine Learning

Journal of chemical information and modeling, 2017-01, Vol.57 (1), p.36-49

2017

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ChemMaps.com v2.0: exploring the environmental chemical universe

Nucleic acids research, 2023-07, Vol.51 (W1), p.W78-W82

2023

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Mice-to-men comparison of inhaled drug-aerosol deposition and clearance

Respiratory physiology & neurobiology, 2019-02, Vol.260, p.82-94

2019

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Open-source QSAR models for pKa prediction using multiple machine learning approaches

Journal of cheminformatics, 2019-09, Vol.11 (1), p.60-20, Article 60

2019

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In vitro to in vivo extrapolation for high throughput prioritization and decision making

Toxicology in vitro, 2018-03, Vol.47, p.213-227

2018

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SAR and QSAR modeling of a large collection of LD50 rat acute oral toxicity data

Journal of cheminformatics, 2019-08, Vol.11 (1), p.1-16, Article 58

2019

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Predictive Models of Prenatal Developmental Toxicity from ToxCast High-Throughput Screening Data

Toxicological sciences, 2011-11, Vol.124 (1), p.109-127

2011

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Disruption of embryonic vascular development in predictive toxicology

Birth defects research. Part C. Embryo today, 2011-12, Vol.93 (4), p.312-323

2011

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Computational model for fetal skeletal defects potentially linked to disruption of retinoic acid signaling

Frontiers in pharmacology, 2022-09, Vol.13, p.971296

2022

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Identifying Environmental Chemicals as Agonists of the Androgen Receptor by Using a Quantitative High-throughput Screening Platform

Toxicology (Amsterdam), 2017-06, Vol.385, p.48-58

2017

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Evaluation of 309 environmental chemicals using a mouse embryonic stem cell adherent cell differentiation and cytotoxicity assay

PloS one, 2011-06, Vol.6 (6), p.e18540

2011

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IVIVE: Facilitating the Use of In Vitro Toxicity Data in Risk Assessment and Decision Making

Toxics (Basel), 2022-05, Vol.10 (5), p.232

2022

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Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling

Journal of cheminformatics, 2024-02, Vol.16 (1), p.19-19, Article 19

2024

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Hierarchical Quantitative Structure–Activity Relationship Modeling Approach for Integrating Binary, Multiclass, and Regression Models of Acute Oral Systemic Toxicity

Chemical research in toxicology, 2020-02, Vol.33 (2), p.353-366

2020

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Screening Chemicals for Estrogen Receptor Bioactivity Using a Computational Model

Environmental science & technology, 2015-07, Vol.49 (14), p.8804-8814

2015

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Two-Dimensional Cellular and Three-Dimensional Bio-Printed Skin Models to Screen Topical-Use Compounds for Irritation Potential

Frontiers in bioengineering and biotechnology, 2020-02, Vol.8, p.109

2020

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In vitro perturbations of targets in cancer hallmark processes predict rodent chemical carcinogenesis

Toxicological sciences, 2013-01, Vol.131 (1), p.40-55

2013

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Use of in vitro methods combined with in silico analysis to identify potential skin sensitizers in the Tox21 10K compound library

Frontiers in toxicology, 2024-02, Vol.6, p.1321857-1321857

2024

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Integrated Approach for Testing and Assessment for Developmental Neurotoxicity (DNT) to Prioritize Aromatic Organophosphorus Flame Retardants

Toxics (Basel), 2024-06, Vol.12 (6), p.437

2024

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Dosimetric anchoring of in vivo and in vitro studies for perfluorooctanoate and perfluorooctanesulfonate

Toxicological sciences, 2013-12, Vol.136 (2), p.308-327

2013

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Exploring drug space with ChemMaps.com

Bioinformatics, 2018-11, Vol.34 (21), p.3773-3775

2018

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A framework for establishing scientific confidence in new approach methodologies

Archives of toxicology, 2022-11, Vol.96 (11), p.2865-2879

2022

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Introduction to Special Issue: Computational Toxicology

Chemical research in toxicology, 2021-02, Vol.34 (2), p.171-175

2021

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Identification of potential endocrine disrupting chemicals using gene expression biomarkers

Toxicology and applied pharmacology, 2019-10, Vol.380, p.114683, Article 114683

2019

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Non-animal methods to predict skin sensitization (II): an assessment of defined approaches

In Silico Prediction of Physicochemical Properties of Environmental Chemicals Using Molecular Fingerprints and Machine Learning

ChemMaps.com v2.0: exploring the environmental chemical universe

Mice-to-men comparison of inhaled drug-aerosol deposition and clearance

Open-source QSAR models for pKa prediction using multiple machine learning approaches

In vitro to in vivo extrapolation for high throughput prioritization and decision making

SAR and QSAR modeling of a large collection of LD50 rat acute oral toxicity data

Predictive Models of Prenatal Developmental Toxicity from ToxCast High-Throughput Screening Data

Disruption of embryonic vascular development in predictive toxicology

Computational model for fetal skeletal defects potentially linked to disruption of retinoic acid signaling

Identifying Environmental Chemicals as Agonists of the Androgen Receptor by Using a Quantitative High-throughput Screening Platform

Evaluation of 309 environmental chemicals using a mouse embryonic stem cell adherent cell differentiation and cytotoxicity assay

IVIVE: Facilitating the Use of In Vitro Toxicity Data in Risk Assessment and Decision Making

Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling

Hierarchical Quantitative Structure–Activity Relationship Modeling Approach for Integrating Binary, Multiclass, and Regression Models of Acute Oral Systemic Toxicity

Screening Chemicals for Estrogen Receptor Bioactivity Using a Computational Model

Two-Dimensional Cellular and Three-Dimensional Bio-Printed Skin Models to Screen Topical-Use Compounds for Irritation Potential

In vitro perturbations of targets in cancer hallmark processes predict rodent chemical carcinogenesis

Use of in vitro methods combined with in silico analysis to identify potential skin sensitizers in the Tox21 10K compound library

Integrated Approach for Testing and Assessment for Developmental Neurotoxicity (DNT) to Prioritize Aromatic Organophosphorus Flame Retardants

Dosimetric anchoring of in vivo and in vitro studies for perfluorooctanoate and perfluorooctanesulfonate

Exploring drug space with ChemMaps.com

A framework for establishing scientific confidence in new approach methodologies

Introduction to Special Issue: Computational Toxicology

Identification of potential endocrine disrupting chemicals using gene expression biomarkers

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