The successive projections algorithm (SPA) is a variable-selection technique that has
attracted increasing interest in the analytical-chemistry community in the past 10 years. The …

A quantitative structure-activity relationship (QSAR) relates quantitative chemical structure
attributes (molecular descriptors) to a biological activity. QSAR studies have now become …

The successive projections algorithm (SPA) is a variable selection technique designed to
minimize collinearity problems in multiple linear regression (MLR). This paper proposes a …

One of the most extended subfields of chemometrics, at least by considering the number of
publications and interested researchers, is QSAR/QSPR. During the time, various improved …

The emphasis of this review is particularly on multivariate statistical methods currently used
in quantitative structure–activity relationship (QSAR) studies. The mathematical methods for …

Diabetes mellitus is a chronic metabolic disease involving the failure to regulate glucose
blood levels in the body and has been linked with numerous detrimental complications …

Environmental fate, behavior and effects of hazardous organic compounds have recently
received great attention in diverse environmental phases, including water, atmosphere, soil …

Constraint score is a feature selection method based on pairwise constraints which is used
in classification problems. To the best of our knowledge, no work has used pairwise …

Chemometrics plays a fundamental role in quantitative structure-activity relationships
(QSARs) and quantitative structure-property relationships (QSPRs) methods, which aim at …

1-[(2-hydroxyethoxy) methyl]-6-(phenylthio) thymine (HEPT) was discovered as the first HIV-
1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) in 1989. The research on HEPT …