Bioinfo Labs  |   CEPCEB  |   IIGB  |   UC Riverside
Eddie Cao (a.k.a Yiqun Cao)


1207 E Genomics Building
University of California
Riverside, CA 92521
Email: a@b where a is ycao and b is
Phone: (951) 905-5232


Graduate Student
Computer Science (5th year)
ChemGen IGERT Fellow (3rd year)


  • University of California, Riverside, CA - PhD in Computer Science, 2010 (expected)
  • National University of Singapore - Master of Engineering in Electrical and Computer Engineering, 2005
    • Thesis title: Distributed and Parallel Computing Techniques in Biomedical Engineering
  • Tsinghua University, Beijing, P.R.China - B.S in Electrical Engineering, 2003
    • Thesis title: Net-based Self-organized Anti-virus System Research

Research Interests

Algorithm, cheminformatics and bioinformatics. My research interests include graph matching, machine learning, information retrieval, similarity measure of chemical compound, and ligand- and receptor-based virtual screening of chemical compound libraries.


  • Cheminformatics algorithms: MCS, EI
  • Web services for cheminformatics: ChemMine Web Tools, EI
  • Databases: ChemMine, BAP DB
  • Environments: ChemmineR
See my research page for more details.

Link to internal projects site.


Cao Y, Jiang T, Girke T (2010) Accelerated Similarity Searching and Clustering of Large Compound Sets by Geometric Embedding and Locality Sensitive. Bioinformatics: epub. HubMed

Cao Y, Charisi A, Cheng LC, Jiang T, Girke T (2008) ChemmineR: A Compound Mining Framework for R. Bioinformatics: 24, 1733-1734. HubMed

Cao Y, Jiang T, Girke T (2008) A maximum common substructure-based algorithm for searching and predicting drug-like compounds. Bioinformatics: 24, i366-374. HubMed  

John J. Irwin, Brian K. Shoichet, Michael M. Mysinger, Niu Huang, Francesco Colizzi, Pascal Wassam, Yiqun Cao (2009) Automated Docking Screens: A Feasibility Study. J Med Chem 52(18). [HubMed]

Other Interests