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Publications

  • A Cheminformatics Workflow for Higher-throughput Modeling of Chemical Exposures from Biosolids
  • treecompareR: Tree Visualizations of Chemical Space
  • Uncertainty estimation strategies for quantitative non-targeted analysis
  • High-throughput PBTK models for in vitro to in vivo extrapolation
  • Identifying populations sensitive to environmental chemicals by simulating toxicokinetic variability
  • High-Throughput Screening Data Interpretation in the Context of In Vivo Transcriptomic Responses to Oral Cr(VI) Exposure
  • A Method for Identifying Prevalent Chemical Combinations in the U.S. Population
  • In vitro to in vivo extrapolation for high throughput prioritization and decision making
  • Consensus Modeling of Median Chemical Intake for the U.S. Population Based on Predictions of Exposure Pathways
  • A Simple Physiologically Based Toxicokinetic Model for Multi-Route In Vitro–In Vivo Extrapolation
  • Simulating toxicokinetic variability to identify susceptible and highly exposed populations
  • Assessing Toxicokinetic Uncertainty and Variability in Risk Prioritization
  • Bioaccessibility and relative oral bioavailability of cobalt and nickel in residential soil and dust affected by metal grinding operations
  • Assessing children's exposure to manganese in drinking water using a PBPK model
  • Enabling transparent toxicokinetic modeling for public health risk assessment
  • Development of the InTelligence And Machine LEarning (TAME) Toolkit for Introductory Data Science, Chemical-Biological Analyses, Predictive Modeling, and Database Mining for Environmental Health Research
  • Chemistry domain of applicability evaluation against existing estrogen receptor high-throughput assay-based activity models
  • High-throughput screening tools facilitate calculation of a combined exposure-bioactivity index for chemicals with endocrine activity
  • Systematic update to the mammalian relative potency estimate database and development of best estimate toxic equivalency factors for dioxin-like compounds
  • Comparison of Gene Expression Responses in the Small Intestine of Mice Following Exposure to 3 Carcinogens Using the S1500+ Gene Set Informs a Potential Common Adverse Outcome Pathway
  • Evaluating in vitro-in vivo extrapolation of toxicokinetics
  • Identifying attributes that influence in vitro -to- in vivo concordance by comparing in vitro Tox21 bioactivity versus in vivo drugmatrix transcriptomic responses across 130 chemicals
  • Exposure Prioritization (Ex Priori): A Screening-Level High-Throughput Chemical Prioritization Tool
  • Estimation of species- and sex-specific PFAS pharmacokinetics in mice, rats, and non-human primates using a Bayesian hierarchical methodology
  • Comparing the Predictivity of Human Placental Gene, microRNA, and CpG Methylation Signatures in Relation to Perinatal Outcomes
  • Optimizing androgen receptor prioritization using high-throughput assay-based activity models
  • The environmental neuroactive chemicals list of prioritized substances for human biomonitoring and neurotoxicity testing: A database and high-throughput toxicokinetics approach
  • TAME 2.0: expanding and improving online data science training for environmental health research
  • A multi-tiered hierarchical Bayesian approach to derive toxic equivalency factors for dioxin-like compounds
  • Development of a range of plausible noncancer toxicity values for 2,3,7,8-tetrachlorodibenzo-p-dioxin based on effects on sperm count: Application of systematic review methods and quantitative integration of dose response using meta-regression
  • Development and application of a systematic and quantitative weighting framework to evaluate the quality and relevance of relative potency estimates for dioxin-like compounds (DLCs) for human health risk assessment
  • Cutting-edge computational chemical exposure research at the U.S. Environmental Protection Agency
  • Physiologically based pharmacokinetic model for ethyl tertiary-butyl ether and tertiary-butyl alcohol in rats: Contribution of binding to α2u–globulin in male rats and high-exposure nonlinear kinetics to toxicity and cancer outcomes
  • Enabling Transparent Toxicokinetic Modeling for Public Health Risk Assessment
  • Predictive modeling of biological responses in the rat liver using in vitro Tox21 bioactivity: Benefits from high-throughput toxicokinetics
  • Hexavalent chromium and stomach cancer: a systematic review and meta-analysis
  • Development of an oral reference dose for the perfluorinated compound GenX
  • The chemical landscape of high-throughput new approach methodologies for exposure
  • Application of qualitative and quantitative uncertainty assessment tools in developing ranges of plausible toxicity values for 2,3,7,8-tetrachlorodibenzo-p-dioxin
  • New approach methodologies for exposure science
  • Informatics for toxicokinetics
  • Monte Carlo for variability simulation and uncertainty (SETAC 2021)
  • Placing toxicology data in the context of exposure
  • Risk Prioritization using Toxicokinetic NAMs to Get Answers for Populations
  • Monte Carlo for variability simulation and uncertainty
  • Theory, Practice, and Exercises in Toxicokinetics
  • Toxicokinetics
  • Development of the dioxin toxicity equivalence factors (TEFs): an international example
  • treecompareR: an open-source software package to visualize hierarchical chemical classifications
  • R Package “HTTK” for High-Throughput IVIVE
  • A cheminformatics workflow for higher-throughput modeling of chemical exposures from biosolids
  • A cheminformatics workflow for higher-throughput modeling of chemical exposures from biosolids
  • A Cheminformatics Workflow for Higher-Throughput Modeling of Chemical Exposures from Biosolids
  • treecompareR:an open-source software package to visualize hierarchical chemical classification
  • A cheminformatics workflow for higher-throughput modeling of chemical exposures from biosolids
  • ctxR: an R package for accessing the CTX APIs
  • Guide to High Throughput Toxicokinetic (HTTK) Parameters
  • treecompareR:an open-source software package to visualize hierarchical chemical classification
  • New approach methodologies to inform chemical risk assessment
  • Encoding Exposure Pathways as Hierarchical Binary Descriptors for Chemical Source Identification in Non-Targeted Analysis
  • EPA’s ExpoCastProject: Advancing Chemical Evaluation with New Approach Methods for Exposure
  • A Simple Physiologically-Based Toxicokinetic Model for Multi-Route In Vitro-In Vivo Extrapolation
  • A Cheminformatics Workflow for Higher-Throughput Modeling of Chemical Exposures From Biosolids
  • Table1_Chemistry domain of applicability evaluation against existing estrogen receptor high-throughput assay-based activity models.docx
  • Biosolids Pollutant Prioritization
  • Defining the Cutting-Edge to the US EPA's Computational Exposure Science
  • Developing Generic Toxicokinetic Models with R Package “HTTK” for Enhanced Reporting Accuracy and Statistical Evaluation
  • Informatics for Toxicokinetics with CvTdband invivoPKfit
  • Application of Metamodeling Approaches to Improve Cohort-Specific High-Throughput Exposure Predictions
  • Characterizing pathways of exposure for risk-based chemical prioritization
  • Characterizing Pathways of Exposure for Risk-Based Chemical Prioritization
  • Improving Computational Derivation of PFAS Toxicokinetic Half-Lives
  • Constructing an Enzyme Ontogeny Database to Improve Characterization of Toxicokinetic Lifestage Differences
  • Methods to Expand and Improve CvTdb: A Publicly Available Resource of Toxicokinetic Data
  • Modelling kinetics and dynamics of chemicals at the U.S. Environmental Protection Agency using the httk open-source platform
  • DataSheet3_Chemistry domain of applicability evaluation against existing estrogen receptor high-throughput assay-based activity models.XLSX
  • Table1_Optimizing androgen receptor prioritization using high-throughput assay-based activity models.xlsx
  • Human Exposure Prioritization using High-Throughput Toxicokinetics and Inferences for Volatile, Semi-volatile, and Non-volatile Environmental Chemicals
  • DataSheet2_Chemistry domain of applicability evaluation against existing estrogen receptor high-throughput assay-based activity models.XLSX
  • Table6_Optimizing androgen receptor prioritization using high-throughput assay-based activity models.xlsx
  • Table2_Optimizing androgen receptor prioritization using high-throughput assay-based activity models.xlsx
  • DataSheet1_Chemistry domain of applicability evaluation against existing estrogen receptor high-throughput assay-based activity models.XLSX
  • A Vision for Next Generation Risk Assessment at the U.S. Environmental Protection Agency
  • Table4_Optimizing androgen receptor prioritization using high-throughput assay-based activity models.docx
  • Table5_Optimizing androgen receptor prioritization using high-throughput assay-based activity models.xlsx
  • Table3_Optimizing androgen receptor prioritization using high-throughput assay-based activity models.docx
  • Recent Developments in High-Throughput Toxicokinetics
  • An informatics framework for toxicokinetics using the CvT database and invivoPKfit
  • Presentation 1_TAME 2.0: expanding and improving online data science training for environmental health research.pptx
  • EPA's Concentration versus Time Database: A Resource for Extrapolating Toxicokinetic Trends Across Chemicals
  • Data Sheet 1_TAME 2.0: expanding and improving online data science training for environmental health research.docx
  • Table 1_TAME 2.0: expanding and improving online data science training for environmental health research.xlsx
  • Predicting Exposure Pathways Allows Risk-Based Prioritization
  • HTTK and HTTK-Pop: open-source software for simulation of population variability in high-throughput toxicokinetic modeling for in vitro-in vivo extrapolation and rapid chemical prioritization (SOT 2021)
  • Monte Carlo for uncertainty and variability simulation in high-throughput toxicokinetic modeling
  • High-Throughput Toxicokinetics
  • Human variability in high-throughput risk prioritization of environmental chemicals
  • High-throughput Toxicokinetics
  • Machine Learning in Predictive Toxicology: An Overview And Case Study
  • Machine Learning in Predictive Toxicology: An Overview And Case Study
  • Program Office Collaboration: Biosolids Evaluation
  • Towards characterizing the galaxies of biosolids chemical classes across the chemical universe
  • Predicting biosolids chemical concentrations requires identifying and bridging data gaps
  • Towards characterizing the galaxies of biosolids chemical classes across the chemical universe
  • Towards characterizing the galaxies of biosolids chemical classes across the chemical universe
  • Incorporating Population Variability in Toxicokinetic Modeling for Risk-Based Prioritization
  • Inter-individual variability in high-throughput risk prioritization of environmental chemicals
  • US EPA’s ExpoCast program: New approach methodologies for exposure
  • EPA’s Systematic Empirical Evaluation of Models (SEEM) Framework
  • Utility of NAMs for risk-based prioritization
  • Evaluating chemical contaminants in biosolids: A collaboration between EPA’s Center for Computational Toxicology and Exposure and EPA’s Office of Water
  • Ex Priori: A Screening-Level Chemical Prioritization Dashboard for Consumer Exposures
  • High Throughput Determinations of Critical Dosing Parameters
  • US EPA’s ExpoCast program: New approach methodologies for exposure
  • Update of Open Source Population Variability Simulator for Toxicokinetic Modeling
  • Simulating Human Variability in Toxicokinetics with R Package “HTTK”
  • EPA’s HTTK Research: In vitro Data and Generic TK Models for IVIVE
  • Evaluating chemical contaminants in biosolids: A collaboration between EPA’s Center for Computational Toxicology and Exposure and EPA’s Office of Water
  • Predicting Exposure Pathways with Machine Learning
  • High-Throughput Toxicokinetics Exposure Inference for Environmental Chemicals
  • Evaluating High Throughput Toxicokinetics and Toxicodynamics for IVIVE
  • Estimating Uncertainty of Predicted Chemical Concentrations Via Quantitative Non-Targeted Analysis
  • The Chemical Landscape of High-Throughput New Approach Methodologies for Exposure
  • Predictive Models for Chemical Occurrence in Environmental and Biological Media
  • Estimating Uncertainty of Predicted Chemical Concentrations via Quantitative Non-Targeted Analysis
  • High Throughput Determinations of Critical Dosing Parameters
  • Systematic Empirical Evaluation of Models to Inform Risk Prioritization
  • Quantitative Non-Targeted Analysis: From Data to Decisions
  • ctxR: Utilities for interacting with the CTX APIs
  • High-throughput PBTK models for in vitro to in vivo extrapolation
  • Modelling kinetics and dynamics of chemicals at the US-EPA using the httk open-source platform
  • Transcriptomic Responses in the Oral Cavity of F344 Rats and B6C3F1 Mice Following Exposure to Cr(VI): Implications for Risk Assessment
  • Variability of action potential duration in pharmacologically induced Long QT Syndrome Type 1

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