Analyzing chemicals and their effects on the environment
from a
life cycle viewpoint can produce a thorough analysis that takes end-of-life
(EoL) activities into account. Chemical risk assessment, predicting
environmental discharges, and finding EoL paths and exposure scenarios
all depend on chemical flow data availability. However, it is challenging
to gain access to such data and systematically determine EoL activities
and potential chemical exposure scenarios. As a result, this work
creates quantitative structure-transfer relationship (QSTR) models
for aiding environmental managment decision-making based on chemical
structure-based machine learning (ML) models to predict potential
industrial EoL activities, chemical flow allocation, environmental
releases, and exposure routes. Further multi-label classification
methods may improve the predictability of QSTR models according to
the ML experiment tracking. The developed QSTR models will assist
stakeholders in predicting and comprehending potential EoL management
activities and recycling loops, enabling environmental decision-making
and EoL exposure assessment for new or existing chemicals in the global
marketplace.