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Federal
Chemicals and harmonized functions
U.S. Environmental Protection Agency —
Chemicals and harmonized functions - dataset of chemicals mapped to a harmonized chemical function category. This dataset is associated with the following... -
Federal
Characterizing surface water concentrations of hundreds of organic chemicals in United States for environmental risk prioritization
U.S. Environmental Protection Agency —
The initial analysis set was downloaded from https://www.waterqualitydata.us/ using queries described in the file load_water_data.py, hosted at... -
Federal
Functional Use Database (FUse)
U.S. Environmental Protection Agency —
There are five different files for this dataset: 1. A dataset listing the reported functional uses of chemicals (FUse) 2. All 729 ToxPrint descriptors obtained from... -
Federal
Chemical product and function dataset
U.S. Environmental Protection Agency —
Merged product weight fraction and chemical function data. This dataset is associated with the following publication: Isaacs , K., M. Goldsmith, P. Egeghy , K.... -
Federal
Assessing Toxicokinetic Uncertainty and Variability in Risk Prioritization
U.S. Environmental Protection Agency —
The supplemental information for this paper includes chemical-specific analytical methods, raw instrument data for chemical concentration analysis, processed data for... -
Federal
Quantitative Structure-Use Relationship (QSUR) Model Descriptors
U.S. Environmental Protection Agency —
This data set contains ToxPrint finger prints for all chemicals in FUse that had QSAR-ready SMILES strings as well as select physicochemical properties from the... -
Federal
Suspect Screening Analysis of Chemicals in Consumer Products
U.S. Environmental Protection Agency —
A suspect screening analysis method is presented to rapidly characterize chemicals in 100 consumer products -- whether they be formulations (shampoos, paints),... -
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
Chemical Function Predictions for Tox21 Chemicals
U.S. Environmental Protection Agency —
Random forest chemical function predictions for Tox21 chemicals in personal care products uses and "other" uses. This dataset is associated with the following... -
Federal
(REPRODUCTIVE TOXICOLOGY) EMBRYONIC VASCULAR DISRUPTION ADVERSE OUTCOMES: LINKING HIGH THROUGHPUT SIGNALING SIGNATURES WITH FUNCTIONAL CONSEQUENCES
U.S. Environmental Protection Agency —
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... -
Federal
Exploring Global Exposure Factors Resources URLs
U.S. Environmental Protection Agency —
The dataset is a compilation of hyperlinks (URLs) for resources (databases, compendia, published articles, etc.) useful for exposure assessment specific to consumer... -
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
Datasets associated with "Mining of Consumer Product and Purchasing Data to Identify Potential Chemical Co-exposures"
U.S. Environmental Protection Agency —
Background: Chemicals in consumer products are a major contributor to human chemical co-exposures. Consumers purchase and use a wide variety of products containing... -
Federal
Environmental mixtures and breast cancer: identifying co-exposure patterns between understudied vs breast cancer-associated chemicals using chemical inventory informatics
U.S. Environmental Protection Agency —
All data used for these analyses are publicly available, either through CPDat, ToxRefDB, or the CompTox Chemicals Dashboard. Script associated with these analyses are... -
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
Non‐animal assessment of skin sensitization hazard: Is an integrated testing strategy needed, and if so what should be integrated?
U.S. Environmental Protection Agency —
Appendix Skin sensitization data and non‐animal test data for 271 chemicals. This dataset is associated with the following publication: Roberts, D., and G. Patlewicz.... -
Federal
Weaver's historic accessible collection of synthetic dyes: a cheminformatics analysis
U.S. Environmental Protection Agency —
This is a subset of 150 chemical dyes that are housed in the Max Weaver Dye Library at North Carolina State University HISTORY. This dataset is associated with the... -
Federal
Abstract Sifter: a comprehensive front-end system to PubMed
U.S. Environmental Protection Agency —
The Abstract Sifter is a Microsoft Excel based application that enhances existing search capabilities of PubMed. The Abstract Sifter assists researchers to search... -
Federal
Rapid Experimental Estimates of Physicochemical Properties
U.S. Environmental Protection Agency —
We have performed high-throughput experimental estimates of five physicochemical properties for a set of 200 chemicals to evaluate the consistency with previous...