ToxSci Advance Access published online on January 4, 2008
Toxicological Sciences, doi:10.1093/toxsci/kfn001
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Integration of Clinical Chemistry, Expression, and Metabolite Data Leads to Better Toxicological Class Separation



* Center for Biological Sequence Analysis, BioCentrum-DTU, Technical University of Denmark, Kemitorvet, Building 208, DK-2800 Lyngby, Denmark
Protein Structure and Biophysics, Protein Engineering, Novo Nordisk Park, DK-2760 Måløv, Denmark
Molecular Genetics, Biotechnology, Novo Nordisk Park, DK-2760 Måløv, Denmark
To whom correspondence should be addressed: Jeppe S. Spicker Center for Biological Sequence Analysis, BioCentrum-DTU, Technical University of Denmark, Kemitorvet, Building 208, DK-2800 Lyngby, Denmark. Phone: +45 45252477. Fax: +45 45931585. Email: skytte{at}cbs.dtu.dk
Received August 29, 2007; revision received December 20, 2007; accepted December 21, 2007
| Abstract |
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A large number of databases are currently being implemented within toxicology aiming to integrate diverse biological data, such as clinical chemistry, expression, and other types of data. However, for these endeavours to be successful, tools for integration, visualization and interpretation are needed. This paper presents a method for data integration using a hierarchical model based on either principal component analysis (PCA) or partial least squares discriminant analysis (PLS-DA) of clinical chemistry, expression, and nuclear magnetic resonance (NMR) data using a toxicological study as case. The study includes the three toxicants alpha-naphthyl-isocyante (ANIT), dimethylnitrosamine (DMN), and N-methylformamide (NMF) administered to rats. Improved predictive ability of the different classes is seen suggesting that this approach is a suitable method for data integration and visualization of biological data. Furthermore, the method allows for correlation of biological parameters between the different data types, which could lead to an improvement in biological interpretation.
Key Words: Data integration; toxicology; clinical chemistry; microarray; metabonomics.