From Data to Mechanism: A Knowledge Graph-Bayesian Network-Driven Suspect Screening (KGBS) Strategy for Phthalate Exposure Assessment

The widespread substitution of phthalate esters (PAEs) in industrial production has resulted in an increasingly complex environmental exposure and metabolic transformation in humans. To systematically elucidate their biotransformation relationships, a knowledge graph-Bayesian network-driven suspect screening (KGBS) strategy that integrated text mining, probabilistic reasoning, and high-resolution mass spectrometry (HRMS) was developed. A total of 54,838 associations between PAEs and their metabo