ChemDIS: A chemical-disease inference system based on chemical-protein interactions

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10 Citations (Scopus)

Abstract

Background: The characterization of toxicities associated with environmental and industrial chemicals is required for risk assessment. However, we lack the toxicological data for a large portion of chemicals due to the high cost of experiments for a huge number of chemicals. The development of computational methods for identifying potential risks associated with chemicals is desirable for generating testable hypothesis to accelerate the hazard identification process. Results: A chemical-disease inference system named ChemDIS was developed to facilitate hazard identification for chemicals. The chemical-protein interactions from a large database STITCH and protein-disease relationship from disease ontology and disease ontology lite were utilized for chemical-protein-disease inferences. Tools with user-friendly interfaces for enrichment analysis of functions, pathways and diseases were implemented and integrated into ChemDIS. An analysis on maleic acid and sibutramine showed that ChemDIS could be a useful tool for the identification of potential functions, pathways and diseases affected by poorly characterized chemicals. Conclusions: ChemDIS is an integrated chemical-disease inference system for poorly characterized chemicals with potentially affected functions and pathways for experimental validation. ChemDIS server is freely accessible at http://cwtung.kmu.edu.tw/chemdis.

Original languageEnglish
Article number25
JournalJournal of Cheminformatics
Volume7
Issue number1
DOIs
Publication statusPublished - Jun 15 2015
Externally publishedYes

Keywords

  • Chemical-disease inference
  • Chemical-protein interaction
  • Disease ontology
  • Enrichment analysis
  • Gene ontology

ASJC Scopus subject areas

  • Computer Science Applications
  • Physical and Theoretical Chemistry
  • Computer Graphics and Computer-Aided Design
  • Library and Information Sciences

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