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Updated: Jun 20, 2026

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
Published on: June 6, 2025
Multi-way chemometric methodologies and applications: a central summary of our research work
Hai-Long Wu1, Jin-Fang Nie, Yong-Jie Yu
1State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082, China. hlwu@hnu.cn
Abstract:
Multi-way data analysis and tensorial calibration are gaining widespread acceptance with the rapid development of modern analytical instruments. In recent years, our group working in State Key Laboratory of Chemo/Biosensing and Chemometrics in Hunan University has carried out exhaustive scientific research work in this area, such as building more canonical symbol systems, seeking the inner mathematical cyclic symmetry property for trilinear or multilinear decomposition, suggesting a series of multi-way calibration algorithms, exploring the rank estimation of three-way trilinear data array and analyzing different application systems. In this present paper, an overview from second-order data to third-order data covering about theories and applications in analytical chemistry has been presented.
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