The Mass Spectrometry Center's expertise and available applications in Bioinformatics and Chemoinformatics are outlined below.

Pathway analysis of Omics data:
  • Comparative pathway network analysis
  • Upstream regulator analysis
  • Downstream effect analysis
  • Toxicogenomics analysis
  • Biomarker identification
Omics data annotation and classification:
  • Molecular function
  • Biological process
  • Cellular component
  • Protein class
Predicting binding targets by virtual screening:
  • Chemical hashed fingerprinting
  • Max common substructure fitting
  • Consensus/multi-voting model
Data mining by machine learning:
  • Bioimage processing and analysis
  • Data mining and virtual screening of compound library
  • Big data classification and regression