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Federal
Predict_Organ_Toxicity_ChemResTox_Data
U.S. Environmental Protection Agency —
We use a supervised machine learning strategy to systematically investigate the relative importance of study type, machine learning algorithm, and type of descriptor... -
Federal
Read_Across_Prediction_of_Estrogenicity_for_Hindered_Phenols_2017_Data
U.S. Environmental Protection Agency —
Read-across is an important data gap filling technique used within category and analog approaches for regulatory hazard identification and risk assessment. Although... -
Federal
Judson_Kleinstreuer_Development and Validation of a Computational Model for Androgen Receptor Activity.
U.S. Environmental Protection Agency —
Data on 1855 chemicals were generated during ToxCast Phases I and II and Tox21 screening using 11 AR-related in vitro assays to build a computational network model... -
Federal
Analysis of the Effects of Cell Stress and Cytotoxicity on In Vitro Assay Activity Across a Diverse Chemical and Assay Space
U.S. Environmental Protection Agency —
Chemical toxicity can arise from disruption of specific biomolecular functions or through more generalized cell stress and cytotoxicity-mediated processes. Here,... -
Federal
Systematically evaluating read-across prediction and performance using a local validity approach characterized by chemical structure and bioactivity information
U.S. Environmental Protection Agency —
Read-across is a popular data gap filling technique within category and analogue approaches for regulatory purposes. Acceptance of read-across remains an ongoing... -
Federal
Data set for Kosnik et al
U.S. Environmental Protection Agency —
The zip file contains all data and scripts used for the material presented in the manuscript by Kosnik et al. This dataset is associated with the following... -
Federal
CERAPP: Collaborative Estrogen Receptor Activity Prediction Project
U.S. Environmental Protection Agency —
Data from a large-scale modeling project called CERAPP (Collaborative Estrogen Receptor Activity Prediction Project) demonstrating using predictive computational... -
Federal
HTTK R Package v1.4 - JSS Article on HTTK: R Package for High-Throughput Toxicokinetics
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
MMartin_DFiler_tcpl: the ToxCast pipeline for high-throughput screening data
U.S. Environmental Protection Agency —
The tcpl package provides a set of tools for processing and modeling high-throughput and high-content chemical screening data. This dataset is associated with the... -
Federal
Saili_AOP43_Systems Modeling of Developmental Vascular Toxicity
U.S. Environmental Protection Agency —
The AOP concept was used to translate ToxCast high-throughput screening data into a ToxPi matrix of 1058 chemicals x 24 features ordered by predicted potential to... -
Federal
The CompTox Chemistry Dashboard: a community data resource for environmental chemistry
U.S. Environmental Protection Agency —
The contents of the chemistry database, presently containing ~ 760,000 substances, are available as public domain data for download. The chemistry content... -
Federal
Towards reproducible structure-based chemical categories for PFAS to inform and evaluate toxicity and toxicokinetic testing
U.S. Environmental Protection Agency —
Data and code for "Grace Patlewicz, Ann M. Richard, Antony J. Williams, Richard S. Judson, Russell S. Thomas, Towards reproducible structure-based chemical categories... -
Federal
HTTK: R Package for High-Throughput Toxicokinetics
U.S. Environmental Protection Agency —
Functions and data tables for simulation and statistical analysis of chemical toxicokinetics ("TK") as in Pearce et al. (2017) . Chemical-specific in vitro data have... -
Federal
Respirometric Screening and Characterization of Mitochondrial Toxicants Within the ToxCast Phase I and II Chemical Libraries
U.S. Environmental Protection Agency —
These are the raw data files for TOXSCI manuscript 19-0578 entitled, “Respirometric Screening and Characterization of Mitochondrial Toxicants Within the ToxCast Phase... -
Federal
ToxCast data and SeqAPASS results related to case study chemicals and targets referenced in Leveraging New Approach Methodologies to Complement Aquatic Life Criteria Derivation
U.S. Environmental Protection Agency —
Excel file containing ToxCast bioactivity data for carbaryl, celecoxib, chromium triacetate, HgCl2, nonylphenol, pentachlorophenol, PFOA, PFOS, pioglitazone, sodium... -
Federal
RJudson_Mansouri_CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity
U.S. Environmental Protection Agency —
Data and supplemental files from COMPARA (A large-scale modeling project). COMPARA combined multiple models developed in collaboration with modelers and computational... -
Federal
A geospatial modeling approach to quantifying the risk of exposure to environmental chemical mixtures via a common molecular target
U.S. Environmental Protection Agency —
Data files for "Eccles KM, Karmaus AL, Kleinstreuer NC, Parham F, Rider CV, Wambaugh JF, Messier KP. A geospatial modeling approach to quantifying the risk of... -
Federal
Watt_HTS_Uncertainty_Quantification_2017_data
U.S. Environmental Protection Agency —
In this work, we introduce a new method for uncertainty quantification in ToxCast data. We explore how unavoidable uncertainties in the data result in uncertainties... -
Federal
Evaluation of food-relevant chemicals in the ToxCast high-throughput screening program
U.S. Environmental Protection Agency —
Thousands of chemicals are directly added to or come in contact with food, many of which have undergone little to no toxicological evaluation. The landscape of the... -
Federal
Generalised Read-Across (GenRA) refinements
U.S. Environmental Protection Agency —
These new analysis builds on the baseline GenRA approach and presents a proof of concept of how other contexts of similarity namely physchem can be implemented into a...