41 datasets found
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Federal
The Tox21 10K Compound Library: Part 1 - Collaborative chemistry advancing toxicology
U.S. Environmental Protection Agency —
Table S1: Tox21 IDs mapped to NCGC IDs, PubChem IDs, and DSSTox IDs, and indicating NCATS, NTP and EPA partner library associations (date stamped February 24, 2020).... -
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
Using Zebrafish to Screen Developmental Toxicity of Per- and Polyfluoroalkyl Substances (PFAS)
U.S. Environmental Protection Agency —
Figure S1: BMC curves. Table S1: Fish assessments. Table S2: Data to make visualization of toxicity (Figure 3). Table S3: Data to make BMC curves. This dataset is... -
Federal
Limited chemical structural diversity found to modulate thyroid hormone receptor in the Tox21 chemical library
U.S. Environmental Protection Agency —
The Tox21 chemical library (8,305 unique structures) was screened in a quantitative high-throughput, cell-based reporter gene assay for TR agonist or antagonist... -
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
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
High-throughput AR dimerization assay identifies androgen disrupting chemicals and metabolites
U.S. Environmental Protection Agency —
Repository for supplemental files and code for paper titled "High-throughput AR Dimerization Assay Identifies Androgen Disrupting Chemicals and Metabolites", 2022.... -
Federal
A cross-platform approach to characterize and screen potential neurovascular unit toxicants
U.S. Environmental Protection Agency —
Development of the neurovascular unit (NVU) is a complex, multistage process that requires orchestrated cell signaling mechanisms across several cell types and... -
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
Dataset for 'Development of a bioprinter-based method for incorporating metabolic competence into high-throughput in vitro assays'
U.S. Environmental Protection Agency —
Data for Hopperstad K and Deisenroth C (2023) Development of a bioprinter-based method for incorporating metabolic competence into high-throughput in vitro assays.... -
Federal
Targeted Per- and Polyfluoroalkyl Substances (PFAS) Assessments for High Throughput Screening: Analytical and Testing Considerations to Inform a PFAS Stock Quality Evaluation Framework
U.S. Environmental Protection Agency —
Data for "Smeltz MG, Clifton MS, Henderson WM, McMillan L, Wetmore BA. Targeted Per- and Polyfluoroalkyl substances (PFAS) assessments for high throughput screening:... -
Federal
Judson_RefChem_InVitro_Assays
U.S. Environmental Protection Agency —
This supplemental material describes two sets of methods; first, it briefly describes the process used to create the EPA’s LitDB database, and second, it describes... -
Federal
Development and validation of CYP26A1 inhibition assay for high-throughput screening
U.S. Environmental Protection Agency —
Dataset for Sakamuru, S., Ma, D., Pierro, J. D., Baker, N. C., Kleinstreuer, N., Cali, J. J., Knudsen, T. B., & Xia, M. (2024). Development and validation of... -
Federal
Chemical Screening in an Estrogen Receptor Transactivation Assay with Metabolic Competence
U.S. Environmental Protection Agency —
This is an original dataset generated at the U.S. EPA. Data was analyzed with the ToxCast Pipeline and deposited for release in invitroDB accessible via the U.S. EPA... -
Federal
KPF_Examining the Utility of In Vitro Bioactivity as a Protective Point of Departure: A Case Study_APCRA
U.S. Environmental Protection Agency —
The files and .R scripts here are provided to aid in understanding and reproduction of the analyses in the submitted paper, "Examining the Utility of In Vitro... -
Federal
Development, validation and integration of in silico models to identify androgen active chemicals
U.S. Environmental Protection Agency —
A diverse data set of 1667 chemicals with AR experimental activity were provided by the U.S. EPA from the oxicity Forecaster (ToxCast) program which generates data... -
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
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
The Alginate Immobilization of Metabolic Enzymes (AIME) Platform Retrofits an Estrogen Receptor Transactivation Assay with Metabolic Competence
U.S. Environmental Protection Agency —
The objective of this study was to develop an approach to retrofit existing HTS assays with hepatic metabolism. The Alginate Immobilization of Metabolic Enzymes... -
Federal
Implementing in vitro bioactivity data to modernize priority setting of chemical inventories
U.S. Environmental Protection Agency —
All of the code used to analyze and report the data as well as build confidence in the approach is available as a supplementary RMarkdown report, and a tool to derive...
41 datasets found