Analysis of longitudinal metabolomics data

Metabolomics datasets are generally large and complex. Using principal component analysis (PCA), a simplified view of the variation in the data is obtained. The PCA model can be interpreted and the processes underlying the variation in the data can be analysed. In metabolomics, often a priori information is present about the data. Various forms of this information can be used in an unsupervised data analysis with weighted PCA (WPCA). A WPCA model will give a view on the data that is different from the view obtained using PCA, and it will add to the interpretation of the information in a metabolomics dataset.