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Updated: Feb 25, 2026

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
Published on: June 6, 2025
Chemometrics in analytical chemistry-part I: history, experimental design and data analysis tools
Richard G Brereton1, Jeroen Jansen2, João Lopes3
1School of Chemistry, University of Bristol, Cantocks Close, Bristol, BS8 1TS, UK.
Abstract:
Chemometrics has achieved major recognition and progress in the analytical chemistry field. In the first part of this tutorial, major achievements and contributions of chemometrics to some of the more important stages of the analytical process, like experimental design, sampling, and data analysis (including data pretreatment and fusion), are summarised. The tutorial is intended to give a general updated overview of the chemometrics field to further contribute to its dissemination and promotion in analytical chemistry.
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