Data analysis strategies for targeted and untargeted LC-MS metabolomic studies: Overview and workflow

Data analysis is a very challenging task in LC-MS metabolomic studies. The use of powerful analytical techniques (e.g., high-resolution mass spectrometry) provides high-dimensional data, often with noisy and collinear structures. Such amount of information-rich mass spectrometry data requires extensive processing in order to handle metabolomic data sets appropriately and to further assess sample classification/discrimination and biomarker...