AIMC Topic: Fluorocarbons

Clear Filters Showing 31 to 40 of 70 articles

Molecular docking-QSAR-Kronecker-regularized least squares-based multiple machine learning for assessment and prediction of PFAS-protein binding interactions.

Journal of hazardous materials
Ubiquitous per- and poly-fluoroalkyl substances (PFAS) threaten human's health and attract worldwide attention. PFAS-mediated toxicity involves adverse effects of PFAS on proteins, and assessment of PFAS-protein binding interactions helps to explain ...

Explainable machine learning models enhance prediction of PFAS bioactivity using quantitative molecular surface analysis-derived representation.

Water research
The extensive use of per- and polyfluoroalkyl substances (PFAS) in industrial and consumer products poses health risks due to their toxicity. Computational toxicology approaches, particularly quantitative structure-activity relationship (QSAR) models...

Comparative immobilization of 30 PFAS mixtures onto biochar, clay, nanoparticle, and polymer derived engineered adsorbents: Machine learning insights into carbon chain length and removal mechanism.

Journal of hazardous materials
Per- and polyfluoroalkyl substances (PFAS) are a group of fluorinated chemicals that cause potential risk in PFAS-impacted soil and water. The adsorption efficiency of 30 PFAS mixtures using different adsorbents in environmentally relevant concentrat...

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...

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...

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...

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...

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...

Prediction of PFAS bioaccumulation in different plant tissues with machine learning models based on molecular fingerprints.

The Science of the total environment
Due to the wastewater irrigation or biosolid application, per- and polyfluoroalkyl substances (PFASs) have been widely detected in agriculture soil and hence crops or vegetables. Consumption of contaminated crops and vegetables is considered as an im...