Pinpointing Biomarkers in Proteomic LC/MS Data by Moving-Window Discriminant Analysis

作者：Bloemberg Tom G; Wessels Hans J C T; van Dael Maurice; Gloerich Jolein; van den Heuvel Lambert P; Buydens Lutgarde M C^*; Wehrens Ron

来源：Analytical Chemistry, 2011, 83(13): 5197-5206.

DOI：10.1021/ac200334s

The identification of differential patterns in data originating from combined measurement techniques such as LC/MS is pivotal to proteomics. Although "shotgun proteomics" has been employed successfully to this end, this method also has severe drawbacks, because of its dependence on largely untargeted MS/MS sequencing and databases for statistical analyses. Alternatively, several MS-signal-based (MS/MS-independent) methods have been published that are mainly based on (univariate) Student's t-tests. Here, we present a more robust multivariate alternative employing linear discriminant analysis. Like the t-test-based methods, it is applied directly to LC/MS data, instead of using MS/MS measurements. We demonstrate the method on a number of simulated data sets, as well as on a spike-in LC/MS data set, and show its superior performance over t-tests.

• 出版日期2011-7-1