Salivary metabolomic profiles across periodontitis stages in pregnant women: metabolite data and analysis code

This record contains laboratory-processed relative intensities for 42 salivary metabolites from 64 pregnant women classified as having stage I periodontitis (n = 16), stage II periodontitis (n = 14), stage III periodontitis (n = 11), or no periodontitis (n = 23). The package includes coded sample identifiers, the two clinical inflammatory variables used in the supplementary analyses, R scripts, recorded MetaboAnalyst analytical settings, and archived MetaboAnalyst estimates reported in the manuscript. The scripts cover PLS-DA and sPLS-DA, additional nested stratified five-fold cross-validation with training-partition preprocessing, exploratory univariate ROC analyses, omnibus metabolite comparisons with false discovery rate correction, Spearman correlations, and BOP-adjusted sensitivity analyses. Package contents, software requirements, execution instructions, and reproducibility limits are described in the README. Third-party software retains its original MIT license.