Efficient and accurate determination of the degree of substitution of cellulose acetate using ATR-FTIR spectroscopy and machine learning
Abstract Multiple linear regression models were trained to predict the degree of substitution (DS) of cellulose acetate based on raw infrared (IR) spectroscopic data. A repeated k-fold cross validation ensured unbiased assessment of model accuracy. Using the DS obtained from 1H NMR data as reference...
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Main Authors: | Frank Rhein, Timo Sehn, Michael A. R. Meier |
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Format: | Article |
Language: | English |
Published: |
Nature Portfolio
2025-01-01
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Series: | Scientific Reports |
Subjects: | |
Online Access: | https://doi.org/10.1038/s41598-025-86378-0 |
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