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

Chun Wei Tung

研究成果: 雜誌貢獻文章同行評審

13 引文 斯高帕斯(Scopus)

摘要

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.

原文英語
文章編號25
期刊Journal of Cheminformatics
7
發行號1
DOIs
出版狀態已發佈 - 六月 15 2015
對外發佈

ASJC Scopus subject areas

  • 電腦科學應用
  • 物理與理論化學
  • 電腦繪圖與電腦輔助設計
  • 圖書館與資訊科學

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