Pretermbirth linked to chemicals found in the vagina ColumbiaMed NatureMicrobiol
), as the union of all metabolites present in at least 50 samples to which a corresponding metabolite was identified in AGORA, assuming them to be present in an unlimited concentration. This vaginal media was applied to each microbiome model input compartment in the form of constraints on metabolite uptake reactions, constraining uptake of compounds not present in the environment to zero.
Samples were split into training and test sets using 10-fold cross-validation , block-stratified for deciles of gestational age at birth , and for microbiome, metabolomics and combined models, also stratified for race. To account for stochasticity in the division to ten folds, we repeated this process five times. Train–test sterility was strictly maintained. To tune the optimal set of hyperparameters , and to obtain a robust estimate of the generalization error, we used nested cross-validation.
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