SpectroChat: A windows executable graphical user interface for chemometrics analysis of spectroscopic data

“SpectroChat”, a user-friendly, windows-based graphical user interface (GUI) for chemometric analysis, is designed to avoid the complexity of high-level programming and expensive software subscriptions. Developed in Python, this software offers versatile data partitioning, spectral pre-processing, a...

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Bibliographic Details
Published in:Software impacts 2024-09, Vol.21, p.100698, Article 100698
Main Authors: Ahmed, Md. Toukir, Ahmed, Md Wadud, Kamruzzaman, Mohammed
Format: Article
Language:English
Subjects:
Chemometrics
Feature selection
GUI
Regression
Spectroscopy
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Description
Summary:“SpectroChat”, a user-friendly, windows-based graphical user interface (GUI) for chemometric analysis, is designed to avoid the complexity of high-level programming and expensive software subscriptions. Developed in Python, this software offers versatile data partitioning, spectral pre-processing, and an optimizable genetic algorithm (GA) for feature selection for spectroscopic data analysis. SpectroChat enables the execution of multivariate regression analyses with options for hyperparameter adjustments and saving model diagnostics. This open-source software, designed to alleviate resource constraints, streamlines chemometric studies without requiring advanced programming platforms. •A windows executable GUI based software is presented to analyze spectroscopic data.•Data partitioning, spectral pre-processing, and basic chemometrics are integrated.•Interactive genetic algorithm is implemented for efficient feature selection.
ISSN:2665-9638
2665-9638
DOI:10.1016/j.simpa.2024.100698