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Grant support

Grant PID2019-104269RR-C33 funded by MCIN/AEI/10.13039/501100011033. Grant URV Marti i Franques-Banco Santander (2021PMF-BS-12) . Chemometrics and Sensorics for Analytical Solutions (CHEMOSENS, ref.2021 SGR 00705, Departament de Recerca i Universitats, Generalitat de Catalunya) .

Analysis of institutional authors

Ezenarro, JokinCorresponding AuthorSchorn-Garcia, DanielAuthorBusto, OlgaAuthorBoque, RicardAuthor

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Article

ProSpecTool: A MATLAB toolbox for spectral preprocessing selection

Publicated to:Chemometrics And Intelligent Laboratory Systems. 247 105096- - 2024-03-01 247(), DOI: 10.1016/j.chemolab.2024.105096

Authors: Ezenarro, Jokin; Schorn-Garcia, Daniel; Busto, Olga; Boque, Ricard

Affiliations

Abstract

This paper introduces the ProSpecTool, a MATLAB toolbox for automated selection of preprocessing methods for obtaining optimal PLS regression models in vibrational spectroscopy. Trial-and-error approaches for preprocessing can be time-consuming, and the success of the process relies on the experience of analysts. The ProSpecTool addresses this challenge by using objective criteria analogous to expert judgment to filter and iterate preprocessing methods based on raw data properties. The toolbox quantifies noise, identifies multiplicative and additive scatter-effects, and selects preprocessing algorithms to correct them. Results demonstrate that the ProSpecTool can produce models that resemble those proposed by experienced analysts based on trial-and-error in terms of performance and robustness, making it a valuable exploratory tool for vibrational spectroscopy practitioners.

Keywords

AutomaticMid-infrared (mir)Near-infrared (nir)Partial least squares regression (plsr)RamanUv -visiblUv–visible

Quality index

Bibliometric impact. Analysis of the contribution and dissemination channel

The work has been published in the journal Chemometrics And Intelligent Laboratory Systems due to its progression and the good impact it has achieved in recent years, according to the agency WoS (JCR), it has become a reference in its field. In the year of publication of the work, 2024 there are still no calculated indicators, but in 2023, it was in position 66/197, thus managing to position itself as a Q1 (Primer Cuartil), in the category Computer Science, Artificial Intelligence.

Independientemente del impacto esperado determinado por el canal de difusión, es importante destacar el impacto real observado de la propia aportación.

Según las diferentes agencias de indexación, el número de citas acumuladas por esta publicación hasta la fecha 2025-06-03:

  • Google Scholar: 2
  • WoS: 2
  • Scopus: 5
  • OpenCitations: 3

Impact and social visibility

From the perspective of influence or social adoption, and based on metrics associated with mentions and interactions provided by agencies specializing in calculating the so-called "Alternative or Social Metrics," we can highlight as of 2025-06-03:

  • The use of this contribution in bookmarks, code forks, additions to favorite lists for recurrent reading, as well as general views, indicates that someone is using the publication as a basis for their current work. This may be a notable indicator of future more formal and academic citations. This claim is supported by the result of the "Capture" indicator, which yields a total of: 21 (PlumX).

It is essential to present evidence supporting full alignment with institutional principles and guidelines on Open Science and the Conservation and Dissemination of Intellectual Heritage. A clear example of this is:

  • The work has been submitted to a journal whose editorial policy allows open Open Access publication.
  • Assignment of a Handle/URN as an identifier within the deposit in the Institutional Repository: http://hdl.handle.net/20.500.11797/imarina9443270

Leadership analysis of institutional authors

There is a significant leadership presence as some of the institution’s authors appear as the first or last signer, detailed as follows: First Author (EZENARRO GARATE, JOKIN) and Last Author (Boqué Martí, Ricard).

the author responsible for correspondence tasks has been EZENARRO GARATE, JOKIN.