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Special Issue "Chemometrics in Analytical Chemistry"

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Cross-Field Chemistry".

Deadline for manuscript submissions: 15 June 2022.

Special Issue Editor

Prof. Dr. Lukasz Komsta
E-Mail Website
Guest Editor
Faculty of Pharmacy, Medical University of Lublin, Jaczewskiego 4, 20-090 Lublin, Poland
Interests: chemometrics; chemoinformatics; chromatography; pharmaceutical analysis; pharmacology

Special Issue Information

Dear Colleagues,

Due to the enormous development of computer technology during the last decades, chemometrics has become the leading and preferred methodology for the experimental data analysis, especially in analytical chemistry. A significant interest in chemometric methods is also connected with the availability of open-source software, removing the financial barriers of expensive software packages. Today, chemometric methods are available for every interested researcher equipped with an average computer. Meanwhile, current supercomputers also have a hard task—they allow us to analyze really huge datasets (a topic reserved for our imagination and science-fiction literature not so long ago).

Therefore, chemometrics can be present everywhere—from simple experimental designs, through multivariate analysis of collected data, up to huge datasets containing millions of samples or variables.

This Special Issue focuses on all aspects of chemometrics in analytical chemistry—experimental design, instrumental data analysis, signal processing, image processing, multivariate data mining, neural networks, genetic algorithms, multi-way methods, and multivariate curve resolution—both in context of new methods and algorithms, as well as novel applications of known approaches. Reviews are also welcome.

Prof. Dr. Lukasz Komsta
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2300 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.


  • chemometrics
  • data mining
  • experimental design
  • signal processing
  • image processing

Published Papers

This special issue is now open for submission.
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