SpectroChat: A windows executable graphical user interface for chemometrics analysis of spectroscopic data
Md. Toukir Ahmed, Md Wadud Ahmed, Mohammed Kamruzzaman
Abstract
“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.