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Federal
Quantitative Structure-Use Relationship Model Predictions to evaluate Tox21 Chemicals as Functional Substitutes and Candidate Alternatives
U.S. Environmental Protection Agency —
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... -
Federal
Quantitative Structure-Use Relationship Model thresholds for Model Validation, Domain of Applicability, and Candidate Alternative Selection
U.S. Environmental Protection Agency —
This file contains value of the model training set confusion matrix, domain of applicability evaluation based on training set to predicted chemicals structural... -
Federal
High-throughput in-silico prediction of ionization equilibria for pharmacokinetic modeling
U.S. Environmental Protection Agency —
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... -
Federal
(ALTEX) Use of High-throughput in vitro toxicity screening data in cancer hazard evaluations by the IARC Monograph Working Groups
U.S. Environmental Protection Agency —
Three recent IARC Working Groups pioneered inclusion of the US Environmental Protection Agency (EPA) ToxCast program high-throughput screening (HTS) data to... -
Federal
A hybrid gene selection approach to create the S1500+ targeted gene sets for use in high-throughput transcriptomics
U.S. Environmental Protection Agency —
The U.S. Tox21 Federal collaboration, which currently quantifies the biological effects of nearly 10,000 chemicals via quantitative high-throughput screening(qHTS) in... -
Federal
Comprehensive analyses and prioritization of Tox21 10K chemicals affecting mitochondrial function by in-depth mechanistic studies
U.S. Environmental Protection Agency —
All data is generated outside of EPA by NCATS, NIH. EPA coauthors assisted with writing the manuscript. This dataset is not publicly accessible because: Data was not... -
Federal
(Toxicology) Identifying Environmental Chemicals as Agonists of the Androgen Receptor by Applying a Quantitative High-throughput Screening Platform
U.S. Environmental Protection Agency —
The paper has data generated by NIH and the EPA coauthors provided input into the preparation of the manuscript. This dataset is not publicly accessible because: Data... -
Federal
NMReDATA, a standard to report the NMR assignment and parameters of organic compounds
U.S. Environmental Protection Agency —
Data S1. Example of NMReDATA.sdf file including NMReDATA for benzo[a]pyrene Data S2. Pure text translation of the NMReDATA.sdf of benzo[a]pyrene. This dataset is... -
Federal
Chemical Exposure Pathway Prediction for Screening and Priority-Setting
U.S. Environmental Protection Agency —
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... -
Federal
Bisphenol A activates EGFR and ERK promoting proliferation, tumor spheroid formation and resistance to EGFR pathway inhibition in estrogen receptor-negative inflammatory breast cancer cells
U.S. Environmental Protection Agency —
Raw data and figures for Bisphenol A activates EGFR and ERK promoting proliferation, tumor spheroid formation and resistance to EGFR pathway inhibition in estrogen... -
Federal
Estimation of the Emission Characteristics of SVOCs from Household Articles Using Group-Contribution Methods
U.S. Environmental Protection Agency —
The attached dataset, including data dictionary, provides all the EPA-generated data for the publication Estimation of the Emission Characteristics of SVOCs from... -
Federal
CES_EHP_Figure_2
U.S. Environmental Protection Agency —
The increasing number of chemicals for which SHEDS probabilistic exposure assessment has been performed over the years. This dataset is associated with the following... -
Federal
A harmonized chemical monitoring database for support of exposure assessments
U.S. Environmental Protection Agency —
Datasets for "A harmonized chemical monitoring database for support of exposure assessments". This dataset is associated with the following publication: Isaacs, K.,... -
Federal
High-throughput screening tools facilitate calculation of a combined exposure-bioactivity index for chemicals with endocrine activity
U.S. Environmental Protection Agency —
Dataset consists of high throughput in vitro bioactivity data and exposure predictions from the U.S. EPA’s Toxicity and Exposure Forecaster (ToxCast and ExpoCast)... -
Federal
Identifying Prevalent Chemical Mixtures in the US Population EHP Data
U.S. Environmental Protection Agency —
Frequent itemset mining (FIM), a technique used for finding patterns in consumer purchasing behavior, can be applied to data from large-scale biomonitoring studies to... -
Federal
Development and Evaluation of a High Throughput Inhalation Model for Organic Chemicals
U.S. Environmental Protection Agency —
This investigation was broken down into three interrelated steps: data collection, model building, and model evaluation. R software (v. 3.5.1) with the httk package... -
Federal
Importance of predictor variables for models of chemical function
U.S. Environmental Protection Agency —
Importance of random forest predictors for all classification models of chemical function. This dataset is associated with the following publication: Isaacs , K., M.... -
Federal
CHEMICAL CHARACTERIZATION OF RECYCLED CONSUMER PRODUCTS USING SUSPECT SCREENING ANALYSIS
U.S. Environmental Protection Agency —
All data associated with Figures and Tables of manuscript "CHEMICAL CHARACTERIZATION OF RECYCLED CONSUMER PRODUCTS USING SUSPECT SCREENING ANALYSIS", Charles Lowe et... -
Federal
HTTK R Package v1.5 - Identifying populations sensitive to environmental chemicals by simulating toxicokinetic variability
U.S. Environmental Protection Agency —
httk: High-Throughput Toxicokinetics Functions and data tables for simulation and statistical analysis of chemical toxicokinetics ("TK") using data obtained from... -
Federal
High-Throughput Dietary Exposure Predictions for Chemical Migrants from Food Contact Substances for Use in Chemical Prioritization
U.S. Environmental Protection Agency —
Under the ExpoCast program, United States Environmental Protection Agency (EPA) researchers have developed a high-throughput (HT) framework for estimating aggregate...