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High-Throughput Dietary Exposure Predictions for Chemical Migrants from Food ...
Under the ExpoCast program, United States Environmental Protection Agency (EPA) researchers have developed a high-throughput (HT) framework for estimating aggregate exposures to... -
Chemicals and harmonized functions
Chemicals and harmonized functions - dataset of chemicals mapped to a harmonized chemical function category. This dataset is associated with the following publication: Isaacs ,... -
Assessing Toxicokinetic Uncertainty and Variability in Risk Prioritization
The supplemental information for this paper includes chemical-specific analytical methods, raw instrument data for chemical concentration analysis, processed data for... -
Quantitative Structure-Use Relationship Model Predictions to evaluate Tox21 C...
This dataset provides a prediction for all Tox21 chemicals with available QSUR descriptors across all 41 valid QSUR models developed with FUse. This dataset is associated with... -
In Vivo PK Library for IVIVE Evaluation
We report on new, in vivo TK experiments in rats for 26 chemicals more commonly associated with non-therapeutic and/or unintentional exposure. These chemicals, and an additional... -
In vivo plasma concentration for lindane after 6 hour exposure in human skin
Dataset is a time course description of lindane disappearance in blood plasma after dermal exposure in human volunteers. This dataset is associated with the following... -
Importance of predictor variables for models of chemical function
Importance of random forest predictors for all classification models of chemical function. This dataset is associated with the following publication: Isaacs , K., M. Goldsmith,... -
Datasets for PUC paper 09182018
Datasets associated with the publication "Establishing a System of Consumer Products Categories to Support Rapid Modeling of Human Exposure". This dataset is associated with the... -
Quantitative Structure-Use Relationship Model thresholds for Model Validation...
This file contains value of the model training set confusion matrix, domain of applicability evaluation based on training set to predicted chemicals structural similarity, and... -
High-throughput in-silico prediction of ionization equilibria for pharmacokin...
Estimates of ionization equilibrium constants (i.e., pKa) were analyzed for 8,132 pharmaceuticals and 24,281 other compounds to which humans might be exposed in the environment.... -
Development of a Flame Retardant and an Organohalogen Flame Retardant Chemica...
This dataset is the result of a joint EPA-CPSC effort to catalogue flame retardant (and more specifically organohalogen flame retardant chemicals). Full details of how the data... -
CES_EHP_Figure_2
The increasing number of chemicals for which SHEDS probabilistic exposure assessment has been performed over the years. This dataset is associated with the following... -
Chemical Exposure Pathway Prediction for Screening and Priority-Setting
We created a consensus, meta-model using the Systematic Empirical Evaluation of Models framework in which the predictors of exposure were combined by pathway and weighted... -
Data for Turley et al. "Applying the RISK21 approach to assess predictivity o...
Data for publication Turley et al. "Applying the RISK21 approach to assess predictivity of new approach methodologies in toxicity testing and exposure assessment: a case study... -
Predicting Potential Human Health Risk with the Tox21 10k Library
This study represents the first report applying IVIVE approaches and exposure comparisons using the entirety of the Tox21 federal collaboration chemical screening data,...