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Fluorocarbons

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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...

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...

Perfluorooctanoic Acids (PFOA) removal using electrochemical oxidation: A machine learning approach.

Journal of environmental management
The urgent need to eliminate Perfluorooctanoic Acid (PFOA) has positioned electrooxidation (EO) as a key solution for pollutant degradation. This study evaluates several machine learning (ML) models, including K-Nearest Neighbors (KNN), Decision Tree...

Ecological risks of PFAS in China's surface water: A machine learning approach.

Environment international
The persistence of per- and polyfluoroalkyl substances (PFAS) in surface water can pose risks to ecosystems, while due to data limitations, the occurrence, risks, and future trends of PFAS at large scales remain unknown. This study investigated the e...

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...

Screening of estrogen receptor activity of per- and polyfluoroalkyl substances based on deep learning and in vivo assessment.

Environmental pollution (Barking, Essex : 1987)
Over the past decades, exposure to per- and polyfluoroalkyl substances (PFAS), a group of synthetic chemicals notorious for their environmental persistence, has been shown to pose increased health risks. Despite that some PFAS were reported to have e...

Data-Driven Insights into Resin Screening for Targeted Per- and Polyfluoroalkyl Substances Removal Using Machine Learning.

Environmental science & technology
In this study, we address the challenge of screening resins and optimizing operation conditions for the removal of 43 perfluoroalkyl and polyfluoroalkyl substances (PFASs), spanning both long- and short-chain fluorocarbon variants, across diverse wat...

A machine learning multimodal profiling of Per- and Polyfluoroalkyls (PFAS) distribution across animal species organs via clustering and dimensionality reduction techniques.

Food research international (Ottawa, Ont.)
Per- and polyfluoroalkyl substances (PFAS) contamination in aquatic and terrestrial organisms poses significant environmental and health risks. This study quantified 15 PFAS compounds across various tissues (liver, kidney, gill, muscle, skin, lung, b...

Advancements in artificial intelligence-based technologies for PFAS detection, monitoring, and management.

The Science of the total environment
Per- and polyfluoroalkyl substances (PFAS) are persistent environmental contaminants with strong carbon‑fluorine (CF) bonds that contribute to bioaccumulation and long-term environmental and health risks. Traditional PFAS detection and treatment meth...

Modeling PFAS Sorption in Soils Using Machine Learning.

Environmental science & technology
In this study, we introduce PFASorptionML, a novel machine learning (ML) tool developed to predict solid-liquid distribution coefficients () for per- and polyfluoroalkyl substances (PFAS) in soils. Leveraging a data set of 1,274 entries for PFAS in ...