Expert System for Fourier Transform Infrared Spectra Recognition Based on a Convolutional Neural Network With Multiclass Classification
Daniil S. Koshelev
Abstract:Fourier transform infrared spectroscopy (FT-IR) is a widely used spectroscopic method for routine analysis of substances and compounds. Spectral interpretation of spectra is a labor-intensive process that provides important information about functional groups or bonds present in compounds and complex substances. In this paper, based on deep learning methods of convolutional neural networks, models were developed to determine the presence of 17 classes of functional groups or 72 classes of coupling oscillations… Show more
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