Figure 7.

Fecal metabotypes are associated with IBD status. (A) PCoA plots of the metabolomics profile of fecal samples colored by metabotype (determined using Dirichlet multinomial mixture models). (B) Contingency table of IBD status by metabotype. The P value was calculated using the Fisher exact test. (C) A random forest classifier was created to predict metabotype. The receiver operating characteristic (ROC) curve of this classifier based on 10-fold cross-validation is shown. (D) Venn diagram showing the number of differential spectral features for metabotypes 2 vs 1, CD vs non-IBD, and UC vs non-IBD in multivariate DESeq2 models including sex, Jewish ancestry, current anti–tumor necrosis factor therapy, mode of delivery, family group, IBD diagnosis, and metabotype as covariates. (E) Metabotype-associated spectral features are shown, plotted by retention time. Effect size is represented as the log₂ FC of metabotypes 2 vs 1 in multivariate DESeq2 models. Size is proportional to the importance score of the feature in the random forest classifier for metabotype. The names of validated metabolites are shown, color-coded by metabolite category.