AIMC Topic: Chemometrics

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Chemometric analysis in Raman spectroscopy from experimental design to machine learning-based modeling.

Nature protocols
Raman spectroscopy is increasingly being used in biology, forensics, diagnostics, pharmaceutics and food science applications. This growth is triggered not only by improvements in the computational and experimental setups but also by the development ...

Comparison between chemometrics and machine learning for the prediction of macronutrients in cheese using Imaging spectroscopy.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Traditional methods for assessing cheese's nutritional content are often labor-intensive, destructive, and environmentally taxing. This study explores the non-destructive spectral imaging technique, also called Hyperspectral Imaging (HSI) combined wi...

Next-Generation Optical Imaging and Spectroscopy: AI and Chemometrics in Assessing Authenticity, Nutrition, and Hazard Factors in Cereals.

Comprehensive reviews in food science and food safety
Cereal quality significantly influences human health, requiring thorough evaluation of authenticity, nutritional composition, and food safety hazards. Conventional detection methods are often characterized by limitations, including time-consuming int...

Machine learning and chemometric methods for high-throughput authentication of 53 Root and Rhizome Chinese Herbal using ATR-FTIR fingerprints.

Journal of chromatography. B, Analytical technologies in the biomedical and life sciences
To address the identification challenges caused by morphological similarities in Root and Rhizome Chinese Herbal (RRCH), this study developed a discrimination system integrating Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy (AT...

Compressed chromatographic fingerprint of Artemisiae argyi Folium empowered by 1D-CNN: Reduce mobile phase consumption using chemometric algorithm.

Journal of chromatography. A
INTRODUCTION: High-Performance Liquid Chromatography (HPLC) is widely used for its high sensitivity, stability, and accuracy. Nonetheless, it often involves lengthy analysis times and considerable solvent consumption, especially when dealing with com...

[Rapid identification of geographic origins of Zingiberis Rhizoma by NIRS combined with chemometrics and machine learning algorithms].

Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica
In this study, 280 batches of Zingiberis Rhizoma samples from nine producing areas were analyzed to obtain infrared spectral information based on near-infrared spectroscopy(NIRS). Pluralistic chemometrics such as principal component analysis(PCA), pa...