Gene Target Prediction of Environmental Chemicals Using Coupled Matrix-Matrix Completion.
Environ Sci Technol
; 58(13): 5889-5898, 2024 Apr 02.
Article
in En
| MEDLINE
| ID: mdl-38501580
ABSTRACT
Human exposure to toxic chemicals presents a huge health burden. Key to understanding chemical toxicity is knowledge of the molecular target(s) of the chemicals. Because a comprehensive safety assessment for all chemicals is infeasible due to limited resources, a robust computational method for discovering targets of environmental exposures is a promising direction for public health research. In this study, we implemented a novel matrix completion algorithm named coupled matrix-matrix completion (CMMC) for predicting direct and indirect exposome-target interactions, which exploits the vast amount of accumulated data regarding chemical exposures and their molecular targets. Our approach achieved an AUC of 0.89 on a benchmark data set generated using data from the Comparative Toxicogenomics Database. Our case studies with bisphenol A and its analogues, PFAS, dioxins, PCBs, and VOCs show that CMMC can be used to accurately predict molecular targets of novel chemicals without any prior bioactivity knowledge. Our results demonstrate the feasibility and promise of computationally predicting environmental chemical-target interactions to efficiently prioritize chemicals in hazard identification and risk assessment.
Key words
Full text:
1
Collection:
01-internacional
Health context:
2_ODS3
Database:
MEDLINE
Main subject:
Polychlorinated Biphenyls
/
Dioxins
Limits:
Humans
Language:
En
Journal:
Environ Sci Technol
/
Environ. sci. technol
/
Environmental science & technology
Year:
2024
Document type:
Article