Additional file 1 of Precision integrated identification of predictive first-trimester metabolomics signatures for early detection of gestational diabetes mellitus

Supplementary Material 1: Table S1: Complete List of Metabolites with Annotations (Post-Preprocessing and Merging). Table S2: Details of all metabolites associated with GDM. Table S3: Prediction Performance Metrics of All Metabolite Panels for GDM. Figure S1: Study design. Figure S2: Metabolomics data QC work flow. Figure S3: Non-Polar Negative Data - Standardized. Boxplot of all the non-polar negative metabolites on x-axis and adjusted for the batch effect and scaled metabolite frequencies on y-axis. Figure S4: Non-Polar Positive Data - Standardized. Boxplot of all the non-polar positive metabolites on x-axis and adjusted for the batch effect and scaled metabolite frequencies on y-axis. Figure S5: Polar Positive Data - Standardized. Boxplot of all the polar metabolites on x-axis and adjusted for the batch effect and scaled metabolite frequencies on y-axis. Figure S6: A violin plot representing metabolites distribution across normal and GDM. Figure S7: Permutation test distribution of AUC.

补充材料1：表S1：经预处理与合并后的全部注释代谢物完整列表。表S2：所有与妊娠期糖尿病（Gestational Diabetes Mellitus，GDM）相关代谢物的详细信息。表S3：针对妊娠期糖尿病的所有代谢物组合的预测性能指标。图S1：研究设计方案。图S2：代谢组学数据质控工作流程。图S3：标准化非极性负离子模式数据。以所有非极性负离子模式代谢物为横轴，经批次效应校正后的标准化代谢物频率为纵轴的箱线图。图S4：标准化非极性正离子模式数据。以所有非极性正离子模式代谢物为横轴，经批次效应校正后的标准化代谢物频率为纵轴的箱线图。图S5：标准化极性正离子模式数据。以所有极性代谢物为横轴，经批次效应校正后的标准化代谢物频率为纵轴的箱线图。图S6：展示正常人群与妊娠期糖尿病患者人群代谢物分布的小提琴图。图S7：受试者工作特征曲线下面积（Area Under the Curve，AUC）的置换检验分布。