Fig. 3
From: Cheminformatics approach to exploring and modeling trait-associated metabolite profiles
Integrated circular dendrogram generated using MACCS fingerprint with average linkage and Soergel distance. A cell next to a metabolite name is colored green if the metabolite has a significant difference in mean relative abundance between for cancer versus control patients in one of the data sets (ADC1/ADC2, serum/plasma) after correction for multiple testing. Metabolites names are colored green if they were significant in at least one data set. Fisher exact test for greater probability of significance for metabolites within the highlighted cluster (orange) than those without *(FDR < .05), ** (FDR < .01), *** (FDR < .001). The metabolites highlighted in blue were selected by our multi-metabolite procedure to form the best classifier without using information about the test set