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Environmental Pollutants

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Advancing toxicity studies of per- and poly-fluoroalkyl substances (pfass) through machine learning: Models, mechanisms, and future directions.

The Science of the total environment
Perfluorinated and perfluoroalkyl substances (PFASs), encompassing a vast array of isomeric chemicals, are recognized as typical emerging contaminants with direct or potential impacts on human health and the ecological environment. With the complex a...

A comprehensive prediction system for silkworm acute toxicity assessment of environmental and in-silico pesticides.

Ecotoxicology and environmental safety
The excessive application and loss of pesticides poses a great risk to the ecosystem, and the environmental safety assessment of pesticides is time-consuming and expensive using traditional animal toxicity tests. In this work, a pesticide acute toxic...

Using machine learning to classify the immunosuppressive activity of per- and polyfluoroalkyl substances.

Toxicology mechanisms and methods
Per- and polyfluoroalkyl substances (PFASs), one of the persistent organic pollutants, have immunosuppressive effects. The evaluation of this effect has been the focus of regulatory toxicology. In this investigation, 146 PFASs (immunosuppressive or n...

Deciphering the cytotoxicity of micro- and nanoplastics in Caco-2 cells through meta-analysis and machine learning.

Environmental pollution (Barking, Essex : 1987)
Plastic pollution, driven by micro- and nanoplastics (MNPs), poses a major environmental threat, exposing humans through various routes. Despite human colorectal adenocarcinoma Caco-2 cells being used as an in vitro model for studying the intestinal ...

Molecular designing of potential environmentally friendly PFAS based on deep learning and generative models.

The Science of the total environment
Perfluoroalkyl and polyfluoroalkyl substances (PFAS) are widely used across a spectrum of industrial and consumer goods. Nonetheless, their persistent nature and tendency to accumulate in biological systems pose substantial environmental and health t...

Trends in the prevalence of osteoporosis and effects of heavy metal exposure using interpretable machine learning.

Ecotoxicology and environmental safety
There is limited evidence that heavy metals exposure contributes to osteoporosis. Multi-parameter scoring machine learning (ML) techniques were developed using National Health and Nutrition Examination Survey data to predict osteoporosis based on hea...

Identifying cardiovascular disease risk in the U.S. population using environmental volatile organic compounds exposure: A machine learning predictive model based on the SHAP methodology.

Ecotoxicology and environmental safety
BACKGROUND: Cardiovascular disease (CVD) remains a leading cause of mortality globally. Environmental pollutants, specifically volatile organic compounds (VOCs), have been identified as significant risk factors. This study aims to develop a machine l...

Identification of endocrine-disrupting chemicals targeting key OP-associated genes via bioinformatics and machine learning.

Ecotoxicology and environmental safety
Osteoporosis (OP), a metabolic disorder predominantly impacting postmenopausal women, has seen considerable progress in diagnosis and treatment over the past few decades. However, the intricate interplay between genetic factors and endocrine disrupto...

Machine learning models reveal how polycyclic aromatic hydrocarbons influence environmental bacterial communities.

The Science of the total environment
Polycyclic aromatic hydrocarbons (PAHs) are harmful and widespread pollutants in the environment, posing an ecological threat. However, exploring the influence of PAHs on environmental bacterial communities in different habitats (soil, water, and sed...

An in vitro and machine learning framework for quantifying serum albumin binding of per- and polyfluoroalkyl substances.

Toxicological sciences : an official journal of the Society of Toxicology
Per- and polyfluoroalkyl substances (PFAS) are a diverse class of anthropogenic chemicals; many are persistent, bioaccumulative, and mobile in the environment. Worldwide, PFAS bioaccumulation causes serious adverse health impacts, yet the physiochemi...