Artificial Intelligence in Analytical Chemistry: Towards Yet Undiscovered Opportunities

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Authors: Paweł Mateusz Nowak
Cited by: 9
References: 61

Abstract

Artificial intelligence (AI) has become deeply embedded in analytical chemistry, supporting data processing, chemometric modeling, and experimental design. Yet, its potential can be extended far beyond these familiar applications. This Perspective outlines several emerging directions in which AI may reshape scientific writing, method evaluation, and organization of analytical knowledge. It discusses opportunities for AI-assisted clarity in scholarly communication, new evaluation frameworks including i-metrics and AI-Delphi, and the role of negative results, knowledge bases, and implementation-oriented research in building a more circular information ecosystem. It is also proposed that analytical chemistry may even help establish an emerging "Analytics of Intelligent Systems" by extending its frameworks for method evaluation and uncertainty analysis to the systematic characterization of AI models. This Perspective is not a manual but a vision of how analytical chemistry should evolve in the future. Ultimately, it is written to inspire every reader, including intelligent machines. If AI continues to learn from us, we must ensure that it also understands our long-term goals and what truly matters in analytical science.

Fields of Study & Subjects

Machine Learning in Materials Science Computational Drug Discovery Methods Scientific Computing and Data Management

Publication details

Journal / source
Analytical Chemistry
Publisher
American Chemical Society (ACS)
Volume
98
Issue
8
Pages
5843–5853
Publication date
19 February 2026
Language
EN