Near-infrared spectroscopy coupled with chemometrics and artificial neural network modeling for prediction of emulsion droplet diameters

F Grgić, T Jurina, D Valinger, J Gajdoš Kljusurić… - Micromachines, 2022 - mdpi.com
There is increased interest in the food industry for emulsions as delivery systems to preserve
the stability of sensitive biocompounds with the aim of improving their bioavailability …

Unbiased prediction errors for partial least squares regression models: Choosing a representative error estimator for process monitoring

PB Skou, M Tonolini, CE Eskildsen… - Journal of Near …, 2023 - journals.sagepub.com
Partial least squares (PLS) regression is widely used to predict chemical analytes from
spectroscopic data, thus reducing the need for expensive and time-consuming wet chemical …

Machine learning algorithms in spatiotemporal gait analysis can identify patients with Parkinson's disease

PVR Fernando, M Pannu, P Natarajan, RD Fonseka… - medRxiv, 2023 - medrxiv.org
Abstract Changes to spatiotemporal gait metrics in gait-altering conditions are characteristic
of the pathology. This data can be interpreted by machine learning (ML) models which have …

Comparing Calibration Algorithms for the Rapid Characterization of Pretreated Corn Stover Using Near-Infrared Spectroscopy

Z Tillman, EJ Wolfrum - Frontiers in Energy Research, 2022 - frontiersin.org
Rapid characterization of biomass composition is a key enabling technology for biorefineries—
the ability to measure the chemical composition of biomass materials entering the …

Diagnosing indirect relationships in multivariate calibration models

CE Eskildsen, SB Engelsen, KR Dankel… - Journal of …, 2021 - Wiley Online Library
Problems concerning covariance among independent variables are well understood and
dealt with by inverse regression methods like partial least squares regression. However …

[HTML][HTML] Orthogonality constrained inverse regression to improve model selectivity and analyte predictions from vibrational spectroscopic measurements

PB Skou, E Hosseini, JB Ghasemi, AK Smilde… - Analytica Chimica …, 2021 - Elsevier
In analytical chemistry spectroscopy is attractive for high-throughput quantification, which
often relies on inverse regression, like partial least squares regression. Due to a multivariate …