This dataset contains 208 near-infrared spectra of hydrocarbon mixtures with measured densities. Data are provided as CSV matrices (raw and Savitzky–Golay derivatives), axis files, and a MATLAB MAT bundle for convenient loading in Matlab, Python, Julia, or R. It supports chemometric and machine-learning tasks such as regression and benchmarking of property prediction models.
Duval, L.; Alsouki, L.; Laxalde, J.; Caillol, N. (2025). MLNIRdata: 208 near-infrared spectroscopic spectra and densities of hydrocarbon mixtures for chemometrics, data science, machine learning or signal processing. Zenodo. https://doi.org/10.5281/zenodo.16783068