Program Resources

PubChem

Allows access to large-scale screening data (including but not limited to Tox21 qHTS data), along with the medicinal chemistry and informatics necessary to identify chemical probes to study the functions of genes, cells, and biochemical pathways. PubChem is organized as three linked databases within the NCBI's Entrez information retrieval system. These databases are PubChem Substance, PubChem Compound, and PubChem BioAssay.

 

Tox21 Data Browser

Access chemical structure, annotations, and quality control information.

 

EPA CompTox Chemicals Dashboard

The EPA Computational Toxicology (CompTox) Chemicals Dashboard, formerly the Chemistry Dashboard, helps decision-makers and scientists quickly and efficiently evaluate thousands of chemicals. The Dashboard is a one-stop-shop for chemistry, toxicity and exposure information for over 760,000 chemicals. Data and models within the Dashboard also help with efforts to identify chemicals of most need of further testing and reducing the use of animals in chemical testing. The Tox21 chemicals list and associated data is available on the Dashboard.

Tox21 Chemical list

CompTox Chemicals Dashboard

Tox21 Assays

Tox21 researchers work on a variety of different assays.

 

Nominate an Assay

Tox21 currently is accepting assay proposals from investigators in all areas, both within and outside NIH and the federal government. Follow the instructions provided below to nominate an assay.

Proposed assays should be compatible with the qHTS guidelines in NCATS’ assay guidance criteria.

For questions regarding nominating an assay, please email: Menghang Xia, Ph.D .

Tox21 Assay Nomination Form

 

Assay Evaluation and Development Process

Nomination

Researchers from academia, private institutions and government/non-government organizations may nominate assays.

Review

The Tox21 Pathways/Assays Working Group (with representatives from each of the Tox21 partners) reviews submitted assays on an ongoing basis. Tox21 leadership provides final approval. Assays are selected based on their biological and toxicological relevance and adaptability to miniaturization and qHTS screening.

Optimization and Miniaturization

Tox21 staff optimize and miniaturize selected assays into the qHTS screening platform.

Validation and Screening

In robotic online validation, the assay is screened in triplicate against a validation library. Tox21 experts evaluate validation data for reproducibility and positive control consistency before submission to the Pathways/Assays Working Group for approval.

Data Analysis and Dissemination

Tox21 staff analyze the resulting information and send raw data and/or summary tables to Tox21 partners on a regular basis. All results are made publicly available.

qHTS data

 

PubChem

Allows access to large-scale screening data (including but not limited to Tox21 qHTS data), along with the medicinal chemistry and informatics necessary to identify chemical probes to study the functions of genes, cells, and biochemical pathways. PubChem is organized as three linked databases within the NCBI's Entrez information retrieval system. These databases are PubChem Substance, PubChem Compound, and PubChem BioAssay.

 

Tox21 Data Browser

Visualization of Tox21 qHTS data including concentration-response curves, curve fitting results and different activity metrics along with chemical structure and analytical QC results. Data are searchable by assay and/or chemical. Results from multiple assays and/or chemicals can be overlaid for ease of comparison. All data as well as assay descriptions and detailed screening protocols are available for download.

 

Toxicity ForeCaster (ToxCast™) Data

A collection of flat files for Tox21 and ToxCast programs. Files include assay and chemical descriptions, HTS data, and other related files.

 

Tools

 

BioPlanet

Browse pathways by source, species, biological function/process, disease/toxicity relevance and availability of probing assays. Pathway enrichment analysis of gene sets. This integrated platform will facilitate systematic analysis and modeling of toxicity responses.

 

EPA CompTox Chemicals Dashboard

The EPA Computational Toxicology (CompTox) Chemicals Dashboard, formerly the Chemistry Dashboard, helps decision-makers and scientists quickly and efficiently evaluate thousands of chemicals. The Dashboard is a one-stop-shop for chemistry, toxicity and exposure information for over 760,000 chemicals. Data and models within the Dashboard also help with efforts to identify chemicals of most need of further testing and reducing the use of animals in chemical testing. The CompTox Chemicals Dashboard integrates data from various sources including:

  • ToxCast and Tox21 - High-throughput chemical screening data
  • ExpoCast - Chemical exposure data and prediction models
  • DSSTox - High quality chemical structures and annotations
  • PhysChemDB - Physical Chemical Properties Database
  • CPCat - Chemicals listed by associated categories of chemical and product use

 

Tox21 Toolbox 

The Tox21 toolbox contains useful tools for accessing and visualizing the Tox21 quantitative high throughput screening (qHTS) 10K library data, as well as integrating with other publicly available data.

 

Publications

NCATS Publications

EPA Publications