Last decade's advances and modern aspects of near infrared spectroscopy are critically
examined and reviewed. Innovative instrumentation, highlighted by portable and imaging …

Partial least squares-discriminant analysis (PLS-DA) is a versatile algorithm that can be
used for predictive and descriptive modelling as well as for discriminative variable selection …

It is common to split a dataset into training and testing sets before fitting a statistical or
machine learning model. However, there is no clear guidance on how much data should be …

Abstract Model validation is the most important part of building a supervised model. For
building a model with good generalization performance one must have a sensible data …

In this article, we propose an optimal method referred to as SPlit for splitting a dataset into
training and testing sets. SPlit is based on the method of support points (SP), which was …

In the past decades various categories of chemometrics for laser-induced breakdown
spectroscopy (LIBS) analysis have been developed, among which an important category is …

This review focuses on recent and potential advances in chemometric methods in relation to
data processing in metabolomics, especially for data generated from mass spectrometric …

Near-infrared spectroscopy (NIRS) is a fast and non-destructive analytical method.
Associated with chemometrics, it becomes a powerful tool for the pharmaceutical industry …

According to the Food and Agriculture Organization of the United Nations, food safety is
defined as “assurance that food will not cause harm to the consumer which is prepared …

Coix seed (CS, Coix lachryma-jobi L. var. ma-yuen (Roman.) Stapf) has rich nutrients,
including starch, protein and oil. The geographical origin with a protected geographical …