Post Date: 30 October 2025

The Assessment of VOCs Health Risks in Various Indoor Living Scenarios and Optimization Using QSAR Models

Abstract:

Comprehensive assessment of indoor health risks from volatile organic compounds (VOCs) requires the consideration of diverse exposure scenarios. In this study, 91 air samples were collected from multiple microenvironments in Hong Kong, China, (residences, activity centers, transportation settings, and outdoor areas), and analyzed for 90 VOCs, carbon monoxide and carbon dioxide. This article presents the first application of computational toxicology (CT) using Quantitative Structure-Activity Relationship (QSAR) models of nine platforms for a holistic assessment of indoor contaminants. Results revealed considerable variation in VOCs profiles across different environments. Both children and adults exhibited cumulative carcinogenic risk (CR) above acceptable thresholds, and the hazard quotient (HQ) for adults in some exposure sites surpassed safety limits. Incorporating QSAR-predicted species led to an about 50-fold increase in CR, primarily driven by toluene and m/p-xylene, and an about 2-fold rise in HQ. These findings underscore the necessity of integrating predicted compounds and scenario-specific exposure assessments into future risk evaluations of VOCs.

Keywords: Indoor air; VOCs; Air pollutants; Q SAR model; Health risks.