John Wambaugh

Publications

• Incorporating human exposure information in a weight of evidence approach to inform design of repeated dose animal studies
• Exposure forecasting – ExpoCast – for data-poor chemicals in commerce and the environment
• New Approach Methods to Evaluate Health Risks of Air Pollutants: Critical Design Considerations for In Vitro Exposure Testing
• A Machine Learning Model to Estimate Toxicokinetic Half-Lives of Per- and Polyfluoro-Alkyl Substances (PFAS) in Multiple Species
• Database of pharmacokinetic time-series data and parameters for 144 environmental chemicals
• Chemical screening of food-related chemicals for human fatty liver risk: Combining high content imaging of cellular responses with in vitro to in vivo extrapolation
• Predicting compound amenability with liquid chromatography-mass spectrometry to improve non-targeted analysis
• High-throughput toxicogenomic screening of chemicals in the environment using metabolically competent hepatic cell cultures
• Using chemical structure information to develop predictive models for in vitro toxicokinetic parameters to inform high-throughput risk-assessment
• High-throughput PBTK models for in vitro to in vivo extrapolation.
• A Data-Driven Approach to Estimating Occupational Inhalation Exposure Using Workplace Compliance Data
• Simulating toxicokinetic variability to identify susceptible and highly exposed populations
• Bayesian inference of chemical exposures from NHANES urine biomonitoring data
• The chemical landscape of high-throughput new approach methodologies for exposure
• Towards best use and regulatory acceptance of generic physiologically based kinetic (PBK) models for in vitro-to-in vivo extrapolation (IVIVE) in chemical risk assessment
• A geospatial modeling approach to quantifying the risk of exposure to environmental chemical mixtures via a common molecular target
• Estimating provisional margins of exposure for data-poor chemicals using high-throughput computational methods
• Characterizing surface water concentrations of hundreds of organic chemicals in United States for environmental risk prioritization
• Evaluation of a rapid, generic human gestational dose model
• Development and evaluation of a high throughput inhalation model for organic chemicals.
• In vitro to in vivo extrapolation and high-content imaging for simultaneous characterization of chemically induced liver steatosis and markers of hepatotoxicity
• Category-Based Toxicokinetic Evaluations of Data-Poor Per- and Polyfluoroalkyl Substances (PFAS) using Gas Chromatography Coupled with Mass Spectrometry
• GRADE Guidelines 30: The GRADE Approach to Assessing the Certainty of Modelled Evidence - an Overview in the Context of Health Decision-making
• IVIVE: Facilitating the Use of In Vitro Toxicity Data in Risk Assessment and Decision Making
• Opportunities and challenges related to saturation of toxicokinetic processes: Implications for risk assessment
• Quantitative in vitro to in vivo extrapolation for developmental toxicity potency of valproic acid analogues
• Correction: Development and evaluation of a high throughput inhalation model for organic chemicals (Journal of Exposure Science & Environmental Epidemiology, (2020), 30, 5, (866-877), 10.1038/s41370-020-0238-y)
• Repeat-dose toxicity prediction with Generalized Read-Across (GenRA) using targeted transcriptomic data: A proof-of-concept case study
• Plasma Protein Binding Evaluations of Per- and Polyfluoroalkyl Substances for Category-Based Toxicokinetic Assessment
• Characterizing Chemical Exposure Trends from NHANES Urinary Biomonitoring Data
• Screening for drinking water contaminants of concern using an automated exposure-focused workflow
• Enabling Transparent Toxicokinetic Modeling for Public Health Risk Assessment
• Development of chemical categories for per- and polyfluoroalkyl substances (PFAS) and the proof-of-concept approach to the identification of potential candidates for tiered toxicological testing and human health assessment
• A Comparison of In Vitro Points of Departure with Human Blood Levels for Per- and Polyfluoroalkyl Substances (PFAS)
• Suspect Screening Analysis of Pooled Human Serum Samples Using GC × GC/TOF-MS
• A regression analysis using simple descriptors for multiple dermal datasets: Going from individual membranes to the full skin
• Identifying xenobiotic metabolites with in silico prediction tools and LCMS suspect screening analysis
• Application of Cell painting for chemical hazard evaluation in support of screening-level chemical assessments
• Reproducibility of organ-level effects in repeat dose animal studies
• Cutting-edge computational chemical exposure research at the U.S. Environmental Protection Agency
• Trust Your Gut: Establishing Confidence in Gastrointestinal Models – An Overview of the State of the Science and Contexts of Use
• Impact of gut permeability on estimation of oral bioavailability for chemicals in commerce and the environment.
• Designing QSARs for Parameters of High-Throughput Toxicokinetic Models Using Open-Source Descriptors
• Chemical Characterization of Recycled Consumer Products Using Suspect Screening Analysis
• Correction to Designing QSARs for Parameters of High Throughput Toxicokinetic Models Using Open-Source Descriptors
• In Vitro Hepatic Clearance Evaluations of Per- and Polyfluoroalkyl Substances (PFAS) across Multiple Structural Categories
• Discerning Emittable from Extractable Chemicals Identified in Consumer Products by Suspect Screening GCxGC-TOFMS
• Developing Chemical Signatures for Categories of Household Consumer Products Using Suspect Screening Analysis
• A Simple Physiologically Based Toxicokinetic Model for Multi-Route In Vitro–In Vivo Extrapolation
• Integration of new approach methods for the assessment of data-poor chemicals
• Integrating tools for non-targeted analysis research and chemical safety evaluations at the US EPA
• High-throughput in-silico prediction of ionization equilibria for pharmacokinetic modeling
• Evaluation and calibration of high-throughput predictions of chemical distribution to tissues
• In vitro to in vivo extrapolation for high throughput prioritization and decision making
• An Intuitive Approach for Predicting Potential Human Health Risk with the Tox21 10k Library.
• High-throughput dietary exposure predictions for chemical migrants from food contact substances for use in chemical prioritization
• Identifying populations sensitive to environmental chemicals by simulating toxicokinetic variability.
• httk: R Package for High-Throughput Toxicokinetics
• A Method for Identifying Prevalent Chemical Combinations in the U.S. Population
• Suspect Screening Analysis of Chemicals in Consumer Products.
• The CompTox Chemistry Dashboard: A community data resource for environmental chemistry
• Rapid experimental measurements of physicochemical properties to inform models and testing
• PBPK model reporting template for chemical risk assessment applications
• Comment on: Dong et al. (2017) “Issues raised by the reference doses for perfluorooctonate sulfonate and perfluorooctanoic acid.”
• Analysis of the Effects of Cell Stress and Cytotoxicity onIn VitroAssay Activity Across a Diverse Chemical and Assay Space
• Using the concordance of in vitro and in vivo data to evaluate extrapolation assumptions
• Advancing internal exposure and physiologically-based toxicokinetic modeling for 21st-century risk assessments
• Utilizing Threshold of Toxicological Concern (TTC) with high throughput exposure predictions (HTE) as a risk-based prioritization approach for thousands of chemicals
• Consensus Modeling of Median Chemical Intake for the U.S. Population Based on Predictions of Exposure Pathways
• Advancements in life cycle human exposure and toxicity characterization
• In vitro and modelling approaches to risk assessment from the U.S. environmental protection agency ToxCast programme
• Pharmacokinetic profile of Perfluorobutane Sulfonate and activation of hepatic nuclear receptor target genes in mice
• Characterization and prediction of chemical functions and weight fractions in consumer products
• A liver-centric multiscale modeling framework for xenobiotics
• From the exposome to mechanistic understanding of chemical-induced adverse effects
• Estimating uncertainty in the context of new approach methodologies for potential use in chemical safety evaluation
• Incorporating High-Throughput Exposure Predictions with Dosimetry-Adjusted In Vitro Bioactivity to Inform Chemical Toxicity Testing.
• Toxicokinetic Triage for Environmental Chemicals.
• Identifiability of PBPK models with applications to dimethylarsinic acid exposure
• Exploring consumer exposure pathways and patterns of use for chemicals in the environment
• Incorporating population variability and susceptible subpopulations into dosimetry for high-throughput toxicity testing
• Development of a consumer product ingredient database for chemical exposure screening and prioritization
• Erratum to Incorporating human dosimetry and exposure into High-throughput in Vitro Toxicity Screening [Toxicological sciences 137, 2, (2014), 499]
• High throughput heuristics for prioritizing human exposure to environmental chemicals
• ToxCast Chemical Landscape: Paving the Road to 21st Century Toxicology
• 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
• High-throughput screening of chemicals as functional substitutes using structure-based classification models
• The next generation blueprint of computational toxicology at the U.S. Environmental protection agency
• New approach methodologies for exposure science
• Toxicity testing in the 21st century: progress in the past decade and future perspectives
• High-throughput screening tools facilitate calculation of a combined exposure-bioactivity index for chemicals with endocrine activity
• Computational Exposure Science: An Emerging Discipline to Support 21st-Century Risk Assessment
• Linking high resolution mass spectrometry data with exposure and toxicity forecasts to advance high-throughput environmental monitoring
• Development of a quantitative morphological assessment of toxicant-treated zebrafish larvae using brightfield imaging and high-content analysis
• Dosimetric Anchoring of Toxicological Studies
• Defining toxicological tipping points in neuronal network development.
• Evaluating In Vitro-In Vivo Extrapolation of Toxicokinetics.
• Computational Tools for ADMET Profiling
• Empirical models for anatomical and physiological changes in a human mother and fetus during pregnancy and gestation
• Assessing Toxicokinetic Uncertainty and Variability in Risk Prioritization
• Modeling in vitro cell-based assays experiments: Cell population dynamics
• Comparing models for perfluorooctanoic acid pharmacokinetics using Bayesian analysis
• Systems toxicology from genes to organs
• The electronic design notebook: Performing medium and processing medium
• Force networks and elasticity in granular silos.
• Comparison of modeling approaches to prioritize chemicals based on estimates of exposure and exposure potential
• Dosimetric anchoring of In vivo and In vitro studies for perfluorooctanoate and perfluorooctanesulfonate
• High-throughput models for exposure-based chemical prioritization in the ExpoCast project
• Relative impact of incorporating pharmacokinetics on predicting in vivo hazard and mode of action from high-throughput in vitro toxicity assays
• Incorporating exposure information into the toxicological prioritization index decision support framework
• Response to "accurate risk-based chemical screening relies on robust exposure estimates"
• Physiologically based pharmacokinetic model use in risk assessment-Why being published is not enough
• Integration of dosimetry, exposure, and high-throughput screening data in chemical toxicity assessment
• Simulating Quantitative Cellular Responses Using Asynchronous Threshold Boolean Network Ensembles
• Comparative pharmacokinetics of perfluorononanoic acid in rat and mouse
• Using nuclear receptor activity to stratify hepatocarcinogens
• Simple models for granular force networks
• Incorporating human dosimetry and exposure into high-throughput in vitro toxicity screening
• Simulating microdosimetry in a virtual hepatic lobule
• Virtual tissues in toxicology
• Modeling single and repeated dose pharmacokinetics of PFOA in mice
• Response to perturbations for granular flow in a hopper
• Granular flow through an orifice - effect of granule size and shape distributions
• Asymmetry-induced circulation in granular hopper flows
• Shear and loading in channels: Oscillatory shearing and edge currents of superconducting vortices
• Ratchet-induced segregation and transport of nonspherical grains
• Superconducting fluxon pumps and lenses
• P68—Parsimonious development of a physiologically based pharmacokinetic model for PFOA