DOE OSTI · code-92291
pnnl/Chemometric_Toolbox
Abstract
The PNNL Chemometric Toolbox is a software collection of common MATLAB scripts that implement core chemometric algorithms for regression analysis. The three core regression techniques within this toolbox are classical least squares (CLS), principal component regression (PCR), and partial least squares (PLS). This is demonstrated using a supplied dataset of infrared (FTIR) spectral data with their corresponding concentrations
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Smith, Ian. 2022-09-13. pnnl/Chemometric_Toolbox. https://doi.org/10.11578/dc.20221003.1
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