An Enhanced Protocol to Expand Human Exposome and Machine Learning-Based Prediction for Methodology Application

Summary

The human exposome remains limited due to the challenging analytical strategies used to reveal low-level endocrine-disrupting chemicals (EDCs) and their metabolites in serum and urine. This limits the integrity of the EDC exposure assessment and hinders understanding of their cumulative health effects. In this study, we propose an enhanced protocol based on multi-solid-phase extraction (multi-SPE) to expand human exposome with polar EDCs and metabolites and train a machine learning (ML) model for methodology prediction based on molecular descriptors. The protocol enhanced the measurement of 70 (25%) and 34 (12%) out of 295 well-acknowledged EDCs in serum and urine compared to the hydrophilic-lipophilic balance sorbent alone. In a nontarget analysis of serum and urine from 20 women of child