Quantitative structure− activity relationship (QSAR), an important area of drug design and
discovery, searches information relating chemical structure to biological and pharmaceutical …

Introduction: Quantitative structure-activity/property relationships (QSAR/QSPR) are
statistical models which quantitatively correlate quantitative chemical structure information …

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 …

Extractive distillation is an effective method for separating azeotropic or close boiling point
mixtures by adding a third component. Various technologies for performing the extractive …

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

Variable selection is a procedure used to select the most important features to obtain as
much information as possible from a reduced amount of features. The selection stage is …

In this work we offer linear regression models on a set of aryl-piperazine derivatives that are
obtained by exploring a pool containing 1497 Dragon molecular descriptors, in order to …

Solubility has become one of the key physicochemical screens at early stages of the drug
development process. Solubility prediction through Quantitative Structure–Property …

The central axiom of science purports the explanation of every natural phenomenon using
all possible logics coming from pure as well as mixed scientific background. The quantitative …

The first de novo construction of enantioenriched dihydroquinazolinones via an
intermolecular strategy has been established. This approach also represents the first …