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The CompTox Chemistry Dashboard: a community data resource for environmental ...
The contents of the chemistry database, presently containing ~ 760,000 substances, are available as public domain data for download. The chemistry content underpinning the... -
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 ,... -
HTTK R Package v1.5 - Identifying populations sensitive to environmental chem...
httk: High-Throughput Toxicokinetics Functions and data tables for simulation and statistical analysis of chemical toxicokinetics ("TK") using data obtained from relatively high... -
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... -
HTTK R Package v1.0
httk: High-Throughput Toxicokinetics Functions and data tables for simulation and statistical analysis of chemical toxicokinetics ("TK") using data obtained from relatively high... -
Predictive Structure-Based Toxicology Approaches To Assess the Androgenic Pot...
Chemical structures, RMSD values, docking scores, additional tables and figures, and methodological details (PDF) Additional information concerning the starting data set, EPA-... -
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... -
(REPRODUCTIVE TOXICOLOGY) EMBRYONIC VASCULAR DISRUPTION ADVERSE OUTCOMES: LI...
This study evaluated two anti-angiogenic agents, 5HPP-33 and TNP-470, across the ToxCastDB HTS assay platform and anchored the results to complex in vitro functional assays: the... -
Versatile synthetic alternatives to Matrigel for vascular toxicity screening ...
Paper studying synthetic hydrogels as an alternative to matrigel. This dataset is not publicly accessible because: Research data consisted of secondary data only. It can be... -
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... -
Confirmation of High-Throughput screening data and novel mechanistic insights...
All data is generated by the external authors or taken from public data sources. This dataset is not publicly accessible because: Data was not collected in EPA labs or paid for... -
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... -
Bisphenol A activates EGFR and ERK promoting proliferation, tumor spheroid fo...
Raw data and figures for Bisphenol A activates EGFR and ERK promoting proliferation, tumor spheroid formation and resistance to EGFR pathway inhibition in estrogen receptor-... -
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,... -
Exposure Forecaster
The Exposure Forecaster Database (ExpoCastDB) is EPA's database for aggregating chemical exposure information and can be used to help with chemical exposure predictions. The... -
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... -
Honda_Wambaugh_Using the concordance of in vitro and in vivo data to evaluate...
All relevant data are within the manuscript, its Supporting Information files, and the httk R software package v1.9.2. This dataset is associated with the following publication:... -
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... -
In Silico Prediction of Physicochemical Properties of Environmental Chemicals...
QSAR Model Reporting Formats. Examples of R code: feature selection and regression analysis. Figure S1: Data distribution of logBCF, BP, MP and logVP. Figures S2–S5:...