List of works - John F. Wambaugh

A Liver-Centric Multiscale Modeling Framework for Xenobiotics

scientific article

A Method for Identifying Prevalent Chemical Combinations in the U.S. Population

scientific article published on 24 August 2017

Advancements in Life Cycle Human Exposure and Toxicity Characterization

article

Advancing internal exposure and physiologically-based toxicokinetic modeling for 21st-century risk assessments

scientific article published on 16 August 2018

An Intuitive Approach for Predicting Potential Human Health Risk with the Tox21 10k Library

scientific article published on 15 August 2017

Analysis of the Effects of Cell Stress and Cytotoxicity on In Vitro Assay Activity Across a Diverse Chemical and Assay Space.

scientific article

Assessing Toxicokinetic Uncertainty and Variability in Risk Prioritization

scientific article published on 01 December 2019

Challenges in working towards an internal threshold of toxicological concern (iTTC) for use in the safety assessment of cosmetics: Discussions from the Cosmetics Europe iTTC Working Group workshop

scientific article published on 15 January 2019

Characterization and prediction of chemical functions and weight fractions in consumer products

scientific article published on September 2016

Chemical Characterization of Recycled Consumer Products Using Suspect Screening Analysis

scientific article published in 2021

Comment on: Dong et al. (2017) “Issues raised by the reference doses for perfluorooctonate sulfonate and perfluorooctanoic acid.”

scientific article published on 09 November 2018

Comparative pharmacokinetics of perfluorononanoic acid in rat and mouse

scientific article published on 13 January 2011

Comparing models for perfluorooctanoic acid pharmacokinetics using Bayesian analysis

scientific article published in December 2008

Comparison of modeling approaches to prioritize chemicals based on estimates of exposure and exposure potential

scientific article published on 22 May 2013

Computational Exposure Science: An Emerging Discipline to Support 21st-Century Risk Assessment

scientific article

Computational Tools for ADMET Profiling

Consensus Modeling of Median Chemical Intake for the U.S. Population Based on Predictions of Exposure Pathways

scientific article published on 24 December 2018

Correction to Designing QSARs for Parameters of High Throughput Toxicokinetic Models Using Open-Source Descriptors

scientific article published in 2021

Database of pharmacokinetic time-series data and parameters for 144 environmental chemicals

scientific article published on 20 April 2020

Defining toxicological tipping points in neuronal network development

scientific article published on 2 February 2018

Designing QSARs for Parameters of High-Throughput Toxicokinetic Models Using Open-Source Descriptors

scientific article published in 2021

Development of a consumer product ingredient database for chemical exposure screening and prioritization

scientific article published on 27 December 2013

Development of a quantitative morphological assessment of toxicant-treated zebrafish larvae using brightfield imaging and high-content analysis

scientific article published on 29 February 2016

Dosimetric Anchoring of Toxicological Studies

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

scientific article published on 17 September 2013

Editor's Highlight: Analysis of the Effects of Cell Stress and Cytotoxicity on In Vitro Assay Activity Across a Diverse Chemical and Assay Space.

scientific article

Empirical Models for Anatomical and Physiological Changes in a Human Mother and Fetus During Pregnancy and Gestation

Empirical models for anatomical and physiological changes in a human mother and fetus during pregnancy and gestation

scientific article published on 02 May 2019

Evaluating In Vitro-In Vivo Extrapolation of Toxicokinetics

scientific article published on 27 January 2018

Evaluation and calibration of high-throughput predictions of chemical distribution to tissues

scientific article published on 14 October 2017

Exploring consumer exposure pathways and patterns of use for chemicals in the environment

scientific article published on 2 January 2015

Force networks and elasticity in granular silos

scientific article published on 24 June 2010

From the exposome to mechanistic understanding of chemical-induced adverse effects

scientific article

GRADE Guidelines 30: The GRADE Approach to Assessing the Certainty of Modelled Evidence - an Overview in the Context of Health Decision-making

scientific article published on 24 September 2020

High throughput heuristics for prioritizing human exposure to environmental chemicals

scientific article published on 24 October 2014

High-throughput dietary exposure predictions for chemical migrants from food contact substances for use in chemical prioritization

scientific article published on 30 August 2017

High-throughput in-silico prediction of ionization equilibria for pharmacokinetic modeling

scientific article

High-throughput models for exposure-based chemical prioritization in the ExpoCast project

scientific article published on 11 July 2013

High-throughput screening of chemicals as functional substitutes using structure-based classification models

scientific article published on 01 January 2017

High-throughput screening tools facilitate calculation of a combined exposure-bioactivity index for chemicals with endocrine activity

scientific article published on 09 February 2020

Identifiability of PBPK models with applications to dimethylarsinic acid exposure

scientific article published on 21 July 2015

Identifying populations sensitive to environmental chemicals by simulating toxicokinetic variability

scientific article published on 16 June 2017

In vitro and modelling approaches to risk assessment from the U.S. Environmental Protection Agency ToxCast programme

scientific article published on 22 April 2014

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

scientific article published in December 2017

Incorporating High-Throughput Exposure Predictions With Dosimetry-Adjusted In Vitro Bioactivity to Inform Chemical Toxicity Testing

scientific article

Incorporating exposure information into the toxicological prioritization index decision support framework

scientific article published on 2 August 2012

Incorporating human dosimetry and exposure into high-throughput in vitro toxicity screening.

scientific article published on 16 July 2010

Incorporating population variability and susceptible subpopulations into dosimetry for high-throughput toxicity testing

scientific article published on 21 August 2014

Integrating tools for non-targeted analysis research and chemical safety evaluations at the US EPA.

scientific article published on 29 December 2017

Integration of dosimetry, exposure, and high-throughput screening data in chemical toxicity assessment

scientific article

Linking high resolution mass spectrometry data with exposure and toxicity forecasts to advance high-throughput environmental monitoring

scientific article

Modeling In Vitro Cell-Based Assays Experiments

Modeling single and repeated dose pharmacokinetics of PFOA in mice

scientific article published on 12 November 2008

New Approach Methods to Evaluate Health Risks of Air Pollutants: Critical Design Considerations for In Vitro Exposure Testing

scientific article published on 23 March 2020

P68—Parsimonious development of a physiologically based pharmacokinetic model for PFOA

article

Physiologically based pharmacokinetic model use in risk assessment--Why being published is not enough.

scientific article published in November 2011

Rapid experimental measurements of physicochemical properties to inform models and testing

scientific article published on 02 May 2018

Ratchet-induced segregation and transport of nonspherical grains

scientific article published on 05 March 2002

Relative impact of incorporating pharmacokinetics on predicting in vivo hazard and mode of action from high-throughput in vitro toxicity assays

scientific article

Response to perturbations for granular flow in a hopper

scientific article published on 14 November 2007

Simple models for granular force networks

article

Simulating microdosimetry in a virtual hepatic lobule

scientific article

Simulating quantitative cellular responses using asynchronous threshold Boolean network ensembles

scientific article

Suspect Screening Analysis of Chemicals in Consumer Products

scientific article published on 6 February 2018

Systems toxicology from genes to organs

scientific article published on January 2013

The CompTox Chemistry Dashboard: a community data resource for environmental chemistry

scientific article

The Next Generation Blueprint of Computational Toxicology at the U.S. Environmental Protection Agency

scientific article published on 01 June 2019

ToxCast Chemical Landscape: Paving the Road to 21st Century Toxicology

scientific article (publication date: 15 August 2016)

Toxicity testing in the 21st century: progress in the past decade and future perspectives

scientific article published on 17 December 2019

Toxicokinetic Triage for Environmental Chemicals

scientific article

Using nuclear receptor activity to stratify hepatocarcinogens

scientific article

Using the concordance of in vitro and in vivo data to evaluate extrapolation assumptions

scientific article published on 28 May 2019

Utilizing Threshold of Toxicological Concern (TTC) with high throughput exposure predictions (HTE) as a risk-based prioritization approach for thousands of chemicals

scientific article published on 01 January 2018

Virtual tissues in toxicology

scientific article published in February 2010

httk: R Package for High-Throughput Toxicokinetics

article

List of works by John F. Wambaugh

A Liver-Centric Multiscale Modeling Framework for Xenobiotics

A Method for Identifying Prevalent Chemical Combinations in the U.S. Population

Advancements in Life Cycle Human Exposure and Toxicity Characterization

Advancing internal exposure and physiologically-based toxicokinetic modeling for 21st-century risk assessments

An Intuitive Approach for Predicting Potential Human Health Risk with the Tox21 10k Library

Analysis of the Effects of Cell Stress and Cytotoxicity on In Vitro Assay Activity Across a Diverse Chemical and Assay Space.

Assessing Toxicokinetic Uncertainty and Variability in Risk Prioritization

Challenges in working towards an internal threshold of toxicological concern (iTTC) for use in the safety assessment of cosmetics: Discussions from the Cosmetics Europe iTTC Working Group workshop

Characterization and prediction of chemical functions and weight fractions in consumer products

Chemical Characterization of Recycled Consumer Products Using Suspect Screening Analysis

Comment on: Dong et al. (2017) “Issues raised by the reference doses for perfluorooctonate sulfonate and perfluorooctanoic acid.”

Comparative pharmacokinetics of perfluorononanoic acid in rat and mouse

Comparing models for perfluorooctanoic acid pharmacokinetics using Bayesian analysis

Comparison of modeling approaches to prioritize chemicals based on estimates of exposure and exposure potential

Computational Exposure Science: An Emerging Discipline to Support 21st-Century Risk Assessment

Computational Tools for ADMET Profiling

Consensus Modeling of Median Chemical Intake for the U.S. Population Based on Predictions of Exposure Pathways

Correction to Designing QSARs for Parameters of High Throughput Toxicokinetic Models Using Open-Source Descriptors

Database of pharmacokinetic time-series data and parameters for 144 environmental chemicals

Defining toxicological tipping points in neuronal network development

Designing QSARs for Parameters of High-Throughput Toxicokinetic Models Using Open-Source Descriptors

Development of a consumer product ingredient database for chemical exposure screening and prioritization

Development of a quantitative morphological assessment of toxicant-treated zebrafish larvae using brightfield imaging and high-content analysis

Dosimetric Anchoring of Toxicological Studies

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

Editor's Highlight: Analysis of the Effects of Cell Stress and Cytotoxicity on In Vitro Assay Activity Across a Diverse Chemical and Assay Space.

Empirical Models for Anatomical and Physiological Changes in a Human Mother and Fetus During Pregnancy and Gestation

Empirical models for anatomical and physiological changes in a human mother and fetus during pregnancy and gestation

Evaluating In Vitro-In Vivo Extrapolation of Toxicokinetics

Evaluation and calibration of high-throughput predictions of chemical distribution to tissues

Exploring consumer exposure pathways and patterns of use for chemicals in the environment

Force networks and elasticity in granular silos

From the exposome to mechanistic understanding of chemical-induced adverse effects

GRADE Guidelines 30: The GRADE Approach to Assessing the Certainty of Modelled Evidence - an Overview in the Context of Health Decision-making

High throughput heuristics for prioritizing human exposure to environmental chemicals

High-throughput dietary exposure predictions for chemical migrants from food contact substances for use in chemical prioritization

High-throughput in-silico prediction of ionization equilibria for pharmacokinetic modeling

High-throughput models for exposure-based chemical prioritization in the ExpoCast project

High-throughput screening of chemicals as functional substitutes using structure-based classification models

High-throughput screening tools facilitate calculation of a combined exposure-bioactivity index for chemicals with endocrine activity

Identifiability of PBPK models with applications to dimethylarsinic acid exposure

Identifying populations sensitive to environmental chemicals by simulating toxicokinetic variability

In vitro and modelling approaches to risk assessment from the U.S. Environmental Protection Agency ToxCast programme

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

Incorporating High-Throughput Exposure Predictions With Dosimetry-Adjusted In Vitro Bioactivity to Inform Chemical Toxicity Testing

Incorporating exposure information into the toxicological prioritization index decision support framework

Incorporating human dosimetry and exposure into high-throughput in vitro toxicity screening.

Incorporating population variability and susceptible subpopulations into dosimetry for high-throughput toxicity testing

Integrating tools for non-targeted analysis research and chemical safety evaluations at the US EPA.

Integration of dosimetry, exposure, and high-throughput screening data in chemical toxicity assessment

Linking high resolution mass spectrometry data with exposure and toxicity forecasts to advance high-throughput environmental monitoring

Modeling In Vitro Cell-Based Assays Experiments

Modeling single and repeated dose pharmacokinetics of PFOA in mice

New Approach Methods to Evaluate Health Risks of Air Pollutants: Critical Design Considerations for In Vitro Exposure Testing

P68—Parsimonious development of a physiologically based pharmacokinetic model for PFOA

Physiologically based pharmacokinetic model use in risk assessment--Why being published is not enough.

Rapid experimental measurements of physicochemical properties to inform models and testing

Ratchet-induced segregation and transport of nonspherical grains

Relative impact of incorporating pharmacokinetics on predicting in vivo hazard and mode of action from high-throughput in vitro toxicity assays

Response to perturbations for granular flow in a hopper

Simple models for granular force networks

Simulating microdosimetry in a virtual hepatic lobule

Simulating quantitative cellular responses using asynchronous threshold Boolean network ensembles

Suspect Screening Analysis of Chemicals in Consumer Products

Systems toxicology from genes to organs

The CompTox Chemistry Dashboard: a community data resource for environmental chemistry

The Next Generation Blueprint of Computational Toxicology at the U.S. Environmental Protection Agency

ToxCast Chemical Landscape: Paving the Road to 21st Century Toxicology

Toxicity testing in the 21st century: progress in the past decade and future perspectives

Toxicokinetic Triage for Environmental Chemicals

Using nuclear receptor activity to stratify hepatocarcinogens

Using the concordance of in vitro and in vivo data to evaluate extrapolation assumptions

Utilizing Threshold of Toxicological Concern (TTC) with high throughput exposure predictions (HTE) as a risk-based prioritization approach for thousands of chemicals

Virtual tissues in toxicology

httk: R Package for High-Throughput Toxicokinetics