Functional Group Identification for FTIR Spectra Using Image-Based Machine Learning Models

Fourier transform infrared spectroscopy (FTIR) is a ubiquitous spectroscopic technique. Spectral interpretation is a time-consuming process, but it yields important information about functional groups present in compounds and in complex substances. We develop a generalizable model via a machine lear...

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Veröffentlicht in:	Analytical chemistry (Washington) 2021-07, Vol.93 (28), p.9711-9718
Hauptverfasser:	Enders, Abigail A, North, Nicole M, Fensore, Chase M, Velez-Alvarez, Juan, Allen, Heather C
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Artificial neural networks Chemistry Fourier analysis Fourier transforms Functional groups Infrared spectroscopy Learning algorithms Machine learning Neural networks Organic chemistry Spectra Spectrum analysis
Online-Zugang:	Volltext
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