Tox21 Enricher: Web-based Chemical/Biological Functional Annotation Analysis Tool Based on Tox21 Toxicity Screening Platform

Junguk Hur, Larson Danes, Jui Hua Hsieh, Brett McGregor, Dakota Krout, Scott Auerbach

Research output: Contribution to journalComment/debate

4 Scopus citations

Abstract

The US Toxicology Testing in the 21st Century (Tox21) program was established to develop more efficient and human-relevant toxicity assessment methods. The Tox21 program screens >10,000 chemicals using quantitative high-throughput screening (qHTS) of assays that measure effects on toxicity pathways. To date, more than 70 assays have yielded >12 million concentration-response curves. The patterns of activity across assays can be used to define similarity between chemicals. Assuming chemicals with similar activity profiles have similar toxicological properties, we may infer toxicological properties based on its neighbourhood. One approach to inference is chemical/biological annotation enrichment analysis. Here, we present Tox21 Enricher, a web-based chemical annotation enrichment tool for the Tox21 toxicity screening platform. Tox21 Enricher identifies over-represented chemical/biological annotations among lists of chemicals (neighbourhoods), facilitating the identification of the toxicological properties and mechanisms in the chemical set.

Original languageEnglish (US)
Article number1700129
JournalMolecular Informatics
Volume37
Issue number5
DOIs
StatePublished - May 2018

Keywords

  • Chemical enrichment analysis
  • Tox21
  • Toxicity screening
  • Web tool
  • quantitative High-throughput screening

ASJC Scopus subject areas

  • Structural Biology
  • Molecular Medicine
  • Drug Discovery
  • Computer Science Applications
  • Organic Chemistry

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