Found 20 datasets matching filters.
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Data from a large-scale modeling project called CERAPP (Collaborative Estrogen Receptor Activity Prediction Project) demonstrating using predictive computational models on high-throughput...
Search relevance: 1.00 | Views last month: 8 | Published on: 2025-08-02 -
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 downloaded from the EPA CompTox...
Search relevance: 1.00 | Views last month: 2 | Published on: 2025-08-02 -
The Supporting Information contains the following material: data set with ARN groups downloaded from https://echa.europa.eu/assessment-regulatory-needs in Feb 2023...
Search relevance: 1.00 | Views last month: 2 | Published on: 2025-08-02 -
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 for sensitization potential....
Search relevance: 1.00 | Views last month: 1 | Published on: 2025-08-02 -
The Distributed Structure Searchable Toxicity (DSSTox) online resource provides high quality chemical structures and annotations in association with toxicity data. It helps to build a data...
Search relevance: 1.00 | Views last month: 1 | Published on: 2025-07-31 -
Since the publication of the Adverse Outcome Pathway (AOP) for skin sensitization, there have been many efforts to develop systematic approaches to integrate the information generated from...
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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 NHANES. The zip file contains...
Search relevance: 1.00 | Views last month: 0 | Published on: 2025-08-02 -
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 ToxRefDB v2.0. Table S2....
Search relevance: 1.00 | Views last month: 0 | Published on: 2025-08-02 -
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 risk evaluations that...
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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. [18] and Wigestrand et al. The...
Search relevance: 1.00 | Views last month: 0 | Published on: 2025-08-02 -
The US Environmental Protection Agency’s (EPA) Distributed Structure-Searchable Toxicity (DSSTox) database, launched publicly in 2004, currently exceeds 875 K substances spanning hundreds of lists...
Search relevance: 1.00 | Views last month: 0 | Published on: 2025-08-02 -
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 100 and 700 assays). This data...
Search relevance: 1.00 | Views last month: 0 | Published on: 2025-08-02 -
Read-across is a popular data gap filling technique within category and analogue approaches for regulatory purposes. Acceptance of read-across remains an ongoing challenge with several efforts...
Search relevance: 1.00 | Views last month: 0 | Published on: 2025-08-02 -
Allergic contact dermatitis (ACD) is estimated to constitute about 10-15% of all occupational diseases. Predictive testing to characterise substances for their skin sensitisation potential has...
Search relevance: 1.00 | Views last month: 0 | Published on: 2025-08-02 -
Data files for "Identification of Branched and Linear Forms of PFOA and Potential Precursors: A User-Friendly SMILES Structure-based Approach". This dataset is associated with the following...
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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 search strategy for...
Search relevance: 1.00 | Views last month: 0 | Published on: 2025-08-02 -
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 Toxicology. This dataset is...
Search relevance: 1.00 | Views last month: 0 | Published on: 2025-08-02 -
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 resources used by mass...
Search relevance: 1.00 | Views last month: 0 | Published on: 2025-08-02 -
This paper compares the relative predictive ability and applicability to NTA workflows of three RT prediction models: (1) a logP (octanol-water partition coefficient)-based model using EPI SuiteTM...
Search relevance: 1.00 | Views last month: 0 | Published on: 2025-08-02 -
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 PHYSPROP physico-chemical...
Search relevance: 1.00 | Views last month: 0 | Published on: 2025-08-02
