Related Experiment Video

Updated: Apr 14, 2026

Identifying Per- and Polyfluorinated Chemical Species with a Combined Targeted and Non-Targeted-Screening High-Resolution Mass Spectrometry Workflow
09:04

Identifying Per- and Polyfluorinated Chemical Species with a Combined Targeted and Non-Targeted-Screening High-Resolution Mass Spectrometry Workflow

Published on: April 18, 2019

13.4K

[Development of a machine learning-based ionization efficiency prediction model for per- and polyfluoroalkyl

Shen-Zheng Sun1,2, Yao-Yao Li2, Yan Gao2

  • 1China Jiliang University，College of Materials and Chemistry，Hangzhou 310018，China.

Se Pu = Chinese Journal of Chromatography
|April 13, 2026
PubMed
Summary

This study developed a machine learning model to predict ionization efficiency for per- and polyfluoroalkyl substances (PFASs), enabling semi-quantitative analysis even without reference standards. The XGBoost model accurately estimated PFAS concentrations in various matrices, improving environmental risk assessment.

Keywords:
machine learningper- and polyfluoroalkyl substances （PFASs）quantitative structure-activity relationship （QSAR）semi-quantitative predictive model

More Related Videos

Implementation of a Hyperbolic Vortex Plasma Reactor for the Removal of Micropollutants in Water06:35

Implementation of a Hyperbolic Vortex Plasma Reactor for the Removal of Micropollutants in Water

Published on: July 25, 2025

1.3K
Investigating Long-Distance Transport of Perfluoroalkyl Acids in Wheat via a Split-Root Exposure Technique07:06

Investigating Long-Distance Transport of Perfluoroalkyl Acids in Wheat via a Split-Root Exposure Technique

Published on: September 28, 2022

2.2K

Related Concept Videos

Gas Chromatography: Types of Detectors-II01:19

Gas Chromatography: Types of Detectors-II

In gas chromatography, different detectors are employed to meet specific analytical needs. These detectors are often categorized based on their detection mechanisms and the types of compounds they are best suited to analyze. Thermal Conductivity Detectors (TCD), Flame Ionization Detectors (FID), and Electron Capture Detectors (ECD) represent common categories, each with unique operating principles and applications. However, beyond these, several other detectors are designed for more specialized...
1.5K
Mechanistic Models: Compartment Models in Individual and Population Analysis01:23

Mechanistic Models: Compartment Models in Individual and Population Analysis

Mechanistic models are utilized in individual analysis using single-source data, but imperfections arise due to data collection errors, preventing perfect prediction of observed data. The mathematical equation involves known values (Xi), observed concentrations (Ci), measurement errors (εi), model parameters (ϕj), and the related function (ƒi) for i number of values. Different least-squares metrics quantify differences between predicted and observed values. The ordinary least...
342