20 datasets found
-
Federal
IATA-Bayesian Network Model for Skin Sensitization Data
U.S. Environmental Protection Agency —
Since the publication of the Adverse Outcome Pathway (AOP) for skin sensitization, there have been many efforts to develop systematic approaches to integrate the... -
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
Is Skin penetration a determining factor in skin sensitisation potential and potency? Refuting the notion of a LogKow threshold for Skin Sensitisation
U.S. Environmental Protection Agency —
t is widely accepted that substances that cannot penetrate through the skin will not be sensitizers. LogKow and molecular weight (MW) have been used to set thresholds... -
Federal
Distributed Structure Searchable Toxicity
U.S. Environmental Protection Agency —
The Distributed Structure Searchable Toxicity (DSSTox) online resource provides high quality chemical structures and annotations in association with toxicity data. It... -
Federal
Judson_Mansouri_Automated_Chemical_Curation_QSAREnvRes_Data
U.S. Environmental Protection Agency —
Here we describe the development of an automated KNIME workflow to curate and correct errors in the structure and identity of chemicals using the publically available... -
Federal
Nelms_Evaluating potential refinements to existing Thresholds of Toxicological Concern (TTC) values for environmentally-relevant compounds
U.S. Environmental Protection Agency —
The Toxic Substances Control Act (TSCA) mandates the US EPA perform risk-based prioritisation of chemicals in commerce and then, for high-priority substances, develop... -
Federal
Fitzpatrick_Jeremy_Skin_Sensitization_Data
U.S. Environmental Protection Agency —
Allergic contact dermatitis (ACD) is estimated to constitute about 10-15% of all occupational diseases. Predictive testing to characterise substances for their skin... -
Federal
Grulke_EPA’s DSSTox Chemical Structure Database
U.S. Environmental Protection Agency —
The US Environmental Protection Agency’s (EPA) Distributed Structure-Searchable Toxicity (DSSTox) database, launched publicly in 2004, currently exceeds 875 K... -
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
Transitioning the generalised read-across approach (GenRA) to quantitative predictions: A case study using acute oral toxicity data
U.S. Environmental Protection Agency —
This repository contains code, input and output files associated with the GenRA acute toxicity case study that was published by Helman et al (2019) in Computational... -
Federal
Quantitative Prediction of Repeat Dose Toxicity Values using GenRA
U.S. Environmental Protection Agency —
Per Imran Shah, this was the Data used in and published as supplemental material for this manuscript. Table S1. Aggregated point of departure (POD) data obtained from... -
Federal
Chromatographic_Retention_Time_Prediction_Models_TALANTA_Data
U.S. Environmental Protection Agency —
This paper compares the relative predictive ability and applicability to NTA workflows of three RT prediction models: (1) a logP (octanol-water partition... -
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... -
Federal
Structural alerts for protein binding
U.S. Environmental Protection Agency —
The JRC dataset (doi: 10.1016/j.tiv.2016.07.014) includes reported outcomes in chemico, in vitro and in vivo tests for skin sensitisation. The Tox21 dataset was... -
Federal
Identifying Known Unknowns Using the USEPA CompTox Chemistry Dashboard AnalytBioanlytChem Data
U.S. Environmental Protection Agency —
In this research, the performance of the Dashboard for identifying “known unknowns” was evaluated against that of the online ChemSpider database, one of the primary... -
Federal
Identification of Branched and Linear Forms of PFOA and Potential Precursors: A User-Friendly SMILES Structure-based Approach
U.S. Environmental Protection Agency —
Data files for "Identification of Branched and Linear Forms of PFOA and Potential Precursors: A User-Friendly SMILES Structure-based Approach". This dataset is... -
Federal
Nelms_In Silico Guidance_In Vitro ToxCast Assays
U.S. Environmental Protection Agency —
The US EPA Toxicity Forecasting (ToxCast) project has involved the generation of large amount of high throughput in vitro data (Over 4000 chemicals tested in between... -
Federal
Integrating data gap filling techniques: A case study predicting TEFs for neurotoxicity TEQs to facilitate the hazard assessment of polychlorinated biphenyls
U.S. Environmental Protection Agency —
The experimental data were taken from Simon et al., who compiled potency data for effects related to neurotoxicity from four experimental datasets, Stenberg et al.... -
Federal
Use of Threshold of Toxicological Concern (TTC) with High Throughput Exposure Predictions (HTE) as a Risk-Based Screening Approach to Prioritize More Than Seven Thousand Chemicals
U.S. Environmental Protection Agency —
The dataset that was evaluated in this approach was taken from Wambaugh et al [29] who filtered the Tox21 library to reflect substances with similar uses to those in... -
Federal
Systematic Approaches for the Encoding of Chemical Groups: A Case Study
U.S. Environmental Protection Agency —
The Supporting Information contains the following material: data set with ARN groups downloaded from https://echa.europa.eu/assessment-regulatory-needs in Feb 2023...
20 datasets found