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Updated: Sep 17, 2025

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Untargeted Liquid Chromatography-Mass Spectrometry-Based Metabolomics Analysis of Wheat Grain
Published on: March 13, 2020
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Predicting heavy metal concentration in crop grain using automated machine learning models
Ye-Xiang Zhang1, Feng-Xian Chen2, Yu-Hong Zhang1
1School of Environmental and Safety Engineering, Shenyang University of Chemical Technology, Shenyang 110142, China.
Summary
Automated machine learning models accurately predict heavy metal (HM) concentrations in crops. Organic fertilizer use and plant type are key factors influencing HM accumulation, highlighting the need to control HM inputs in fertilizers.
Area of Science:
- Agricultural Science
- Environmental Science
- Data Science
Background:
- Heavy metal (HM) pollution in crops is a growing concern due to industrialization and intensive agriculture.
- Understanding HM accumulation in crops is crucial for food safety and sustainable agricultural practices.
Purpose of the Study:
- To predict HM concentrations in crop grains using automated machine learning (AutoML) models.
- To identify key factors influencing HM accumulation in crops.
- To evaluate the performance of various machine learning models for HM prediction.
Main Methods:
- Utilized 791 datasets from 54 publications to train AutoML models.
- Input variables included soil properties, fertilizer characteristics, and plant types.
- Output variables were concentrations of chromium (Cr), cadmium (Cd), lead (Pb), arsenic (As), and mercury (Hg) in crop grains.
- Evaluated deep learning (DL), gradient boosting machine (GBM), and other models.
Main Results:
- Deep learning (DL) models excelled in predicting Cr, Pb, As, and Hg.
- Gradient boosting machine (GBM) achieved the highest accuracy for Cd prediction.
- Organic fertilizer application and plant type were identified as primary drivers of HM accumulation.
- Positive correlations found with organic fertilizer application, soil HM concentration, and sand content.
- Negative correlations observed with cation exchange capacity, pH, organic matter, and clay content.
Conclusions:
- DL and GBM models demonstrate superior performance in predicting crop grain HM concentrations.
- Strict control over HM inputs in organic fertilizers is essential to mitigate risks in agriculture.
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