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

abstract Introduction: The use of computational tools in the early stages of drug development
has increased in recent decades. Machine learning (ML) approaches have been of special …

A new approach for variable influence on projection (VIP) is described, which takes full
advantage of the orthogonal projections to latent structures (OPLS) model formalism for …

During the last two decades, near and mid-infrared spectral analyses have emerged as a
reliable and promising analytical tool for objective assessment of coffee quality attributes …

Four quantitative structure-activity relationships (QSAR) and quantitative structure-property
relationship (QSPR) data sets were selected from the literature and used to build regression …

Mathematical models based on chemometric analyses of the coffee beverage sensory data
and NIR spectra of 51 Arabica roasted coffee samples were generated aiming to predict the …

Accurate diagnosis of cancer subtypes is a great guide for the development of surgical plans
and prognosis in the clinic. Raman spectroscopy, combined with the machine learning …

Being a product with a high market value, olive oil undergoes adulterations. Therefore,
studies that make the verification of the authenticity of olive oil more efficient are necessary …

Detecting vehicles in aerial images has a wide range of applications, from urban planning to
visual surveillance. We describe a vehicle detector that improves upon previous approaches …

In this work, the chemometric techniques most frequently used in QSAR (quantitative
structure-activity relationships) studies are reviewed. They are introduced in chronological …