Significant features (binned signals) discriminating between G0 and G4 serum samples.

<p>(A) Important features identified by PLS-DA and VIP scores. The colored boxes on the right indicate relative bin integrals for G0 and G4 samples. Variable Importance in Projection is a weighted sum of squares of the PLS loadings taking into account the amount of explained Y-variation in each dimension. (B) Heatmap of unsupervised hierarchical clustering (distance measure using Pearson and clustering algorithm using Ward). The heatmap was constructed from the most significantly differing bins (features), as identified by PLS-DA and VIP scores. Only the top 25 features are shown. Each colored cell on the map corresponds to a relative concentration value, with samples in rows (<a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0155094#pone.0155094.s007" target="_blank">S2 Table</a> indicates the original name of every sample) and features/compounds in columns. Red and blue colors denote increased and decreased bin integrals, respectively.