66 datasets found
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Federal
Database of pharmacokinetic time-series data and parameters for 144 environmental chemicals
U.S. Environmental Protection Agency —
This is a new, open, and transparent database of toxicokinetic data supporting EPA decision making. The database has already become the basis of research efforts... -
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
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
Consumer Product Category Database
U.S. Environmental Protection Agency —
The Chemical and Product Categories database (CPCat) catalogs the use of over 40,000 chemicals and their presence in different consumer products. The chemical use... -
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
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
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
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
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
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
In Silico Prediction of Physicochemical Properties of Environmental Chemicals Using Molecular Fingerprints and Machine Learning
U.S. Environmental Protection Agency —
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:... -
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
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
RAIDAR-ICE manuscript data
U.S. Environmental Protection Agency —
Data from which figures and table in "A Model for Risk-Based Screening and Prioritization of Human Exposure to Chemicals from Near-Field Sources" were constructed.... -
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
(Crit. Rev. Tox.) Comparison of rat and rabbit embryo-fetal developmental toxicity data for 379 pharmaceuticals: on the nature and severity of developmental effects
U.S. Environmental Protection Agency —
This paper uses EPA public data to build new datasets and analysis by non-EPA authors. This dataset is not publicly accessible because: Data was not collected in EPA... -
Federal
Data for Turley et al. "Applying the RISK21 approach to assess predictivity of new approach methodologies..."
U.S. Environmental Protection Agency —
Data for publication Turley et al. "Applying the RISK21 approach to assess predictivity of new approach methodologies in toxicity testing and exposure assessment: a... -
Federal
Exposure Forecaster
U.S. Environmental Protection Agency —
The Exposure Forecaster Database (ExpoCastDB) is EPA's database for aggregating chemical exposure information and can be used to help with chemical exposure... -
Federal
Predictive Structure-Based Toxicology Approaches To Assess the Androgenic Potential of Chemicals
U.S. Environmental Protection Agency —
Chemical structures, RMSD values, docking scores, additional tables and figures, and methodological details (PDF) Additional information concerning the starting data...
66 datasets found