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Updated: Jun 2, 2026

Chromatographic Fingerprinting by Template Matching for Data Collected by Comprehensive Two-Dimensional Gas Chromatography
Published on: September 2, 2020
UGP system: A deep learning-driven platform for automated identification of ultrafine granular powders using
Fei Huang1,2, Ya-Ling An2, Li-Jie Zhang1
1School of Chinese Materia Medica, Nanjing University of Chinese Medicine, Nanjing, 210023, China.
Abstract:
This study developed an intelligent identification system for ultrafine granular powder (UGP) by integrating high performance liquid chromatography (HPLC) fingerprinting with deep learning algorithms. A comprehensive HPLC fingerprint database encompassing 530 batches from 53 UGP varieties across 29 botanical families was established using a standardized 60-min, six-wavelength detection protocol (210, 230, 254, 280, 327, and 380 nm). Chromatographic reproducibility was ensured with quality control (QC) sample retention time relative standard deviations (RSDs) below 2%. A three-layer one-dimensional convolutional neural network (1D-CNN) was designed with 32, 64, and 128 filters in successive layers for species classification. Data augmentation techniques including noise interference, baseline drift, and retention time shifts (3.5-60 min) expanded the dataset sixfold and enhanced model generalization capabilities. The optimized model achieved excellent performance on test data with 97.62% accuracy, 97.97% precision, and 97.16% recall, demonstrating consistent reproducibility with mean accuracy of 97.2% ± 0.65% across ten independent training runs. External validation using 63 commercial samples yielded 95.24% identification accuracy, confirming practical applicability. The Flask-based web system enables automated workflows from data upload to species identification and is accessible to users without specialized expertise. This work establishes a standardized approach for intelligent authentication of food-medicine homologous Chinese medicinal UGPs, addressing regulatory and consumer requirements for product authenticity and safety in pharmaceutical and functional food industries.
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