Multi-Way Data Analysis Nowadays: Taking Advanced Chemometric Tools to Everyday Analytical Chemistry Applications

Multi-way analysis has become one of the most powerful and versatile chemometric approaches for dealing with the increasing complexity of data generated in modern analytical chemistry. Advances in instrumentation, the widespread use of hyphenated techniques, and the inherently multidimensional nature of many experimental designs require methods capable of preserving structural relationships within datasets. In this context, multi-way tools such as Tucker 3, PARAFAC, or other supervised variants provide rigorous and interpretable descriptions of variability across multiple modes (samples, variables, conditions), enabling the extraction of meaningful patterns, improved noise handling, and enhanced robustness, compared with traditional bilinear approaches. This review offers a critical overview of the most commonly applied multi-way algorithms and their practical use in fields such as environmental chemistry, food science, clinical diagnostics, industrial process monitoring, and pharmaceutical analysis. The essential steps of the workflow, from data acquisition and preprocessing to model selection and interpretation, are discussed, highlighting their impact on model reliability. A dedicated section summarizes the software environments available for performing multi-way analyses, guiding readers in selecting the most suitable tools for their needs. Overall, this review emphasizes how multi-way chemometrics is becoming increasingly crucial for converting complex, high-dimensional data into reliable and actionable chemical knowledge.

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Publication Details

Journal
Chemosensors
Published
2026-02-02
DOI
https://doi.org/10.3390/chemosensors14020037
Primary Topic
Spectroscopy and Chemometric Analyses
Type
article
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article

Multi-Way Data Analysis Nowadays: Taking Advanced Chemometric Tools to Everyday Analytical Chemistry Applications

Marta Guembe-García, Antonio Bova, Raffaela Biesuz, Lisa Rita Magnaghi et al.
Chemosensors
Spectroscopy and Chemometric Analyses
article

Multi-Way Data Analysis Nowadays: Taking Advanced Chemometric Tools to Everyday Analytical Chemistry Applications

Marta Guembe-García, Antonio Bova, Raffaela Biesuz, Lisa Rita Magnaghi, Guglielmo Emanuele Franceschi
article en

Abstract

Multi-way analysis has become one of the most powerful and versatile chemometric approaches for dealing with the increasing complexity of data generated in modern analytical chemistry. Advances in instrumentation, the widespread use of hyphenated techniques, and the inherently multidimensional nature of many experimental designs require methods capable of preserving structural relationships within datasets. In this context, multi-way tools such as Tucker 3, PARAFAC, or other supervised variants provide rigorous and interpretable descriptions of variability across multiple modes (samples, variables, conditions), enabling the extraction of meaningful patterns, improved noise handling, and enhanced robustness, compared with traditional bilinear approaches. This review offers a critical overview of the most commonly applied multi-way algorithms and their practical use in fields such as environmental chemistry, food science, clinical diagnostics, industrial process monitoring, and pharmaceutical analysis. The essential steps of the workflow, from data acquisition and preprocessing to model selection and interpretation, are discussed, highlighting their impact on model reliability. A dedicated section summarizes the software environments available for performing multi-way analyses, guiding readers in selecting the most suitable tools for their needs. Overall, this review emphasizes how multi-way chemometrics is becoming increasingly crucial for converting complex, high-dimensional data into reliable and actionable chemical knowledge.

ChemosensorsVol. 14(2)
University of Pavia (IT), National Interuniversity Consortium of Materials Science and Technology (IT), Universidad de Burgos (ES)
Zero hunger
Openalex Percentile: Top 67%
Spectroscopy and Chemometric Analyses
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Multi-Way Data Analysis Nowadays: Taking Advanced Chemometric Tools to Everyday Analytical Chemistry Applications — Marta Guembe-García, Antonio Bova, et al. · Chemosensors (2026) | TGRS Research Map | TGRS