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For each of our 10 variable groups (Supplementary Table 5) we optimized xgboost models using fivefold cross-validation and two sequential hyperparameter grids searches with early stopping (972 different parameter combinations for each feature group in total) to predict mean-centered and unit variance-scaled (regularized) TMAO levels in the left-out group using root-mean-square error (RMSE) to evaluate model outcomes

These effects of vitamin D3, as well as a resulting increase in GSH levels, have been functionally documented in cell culture studies (28, 29) and in human subjects (30)