Md. Toukir Ahmed, Md Wadud Ahmed, Mohammed Kamruzzaman
{"title":"SpectroChat: A windows executable graphical user interface for chemometrics analysis of spectroscopic data","authors":"Md. Toukir Ahmed, Md Wadud Ahmed, Mohammed Kamruzzaman","doi":"10.1016/j.simpa.2024.100698","DOIUrl":null,"url":null,"abstract":"<div><p>“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.</p></div>","PeriodicalId":29771,"journal":{"name":"Software Impacts","volume":"21 ","pages":"Article 100698"},"PeriodicalIF":1.3000,"publicationDate":"2024-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2665963824000861/pdfft?md5=5f62a6ce7cad9497ae3f6f6bc8552b3d&pid=1-s2.0-S2665963824000861-main.pdf","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Software Impacts","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2665963824000861","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"COMPUTER SCIENCE, SOFTWARE ENGINEERING","Score":null,"Total":0}
引用次数: 0
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.
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