Quantitative structure-activity relationships (QSAR) play a central role in computational
molecular modeling methodologies, since last two decade. QSARs are cheaper and rapid …

The field of quantitative structure‐activity relationships (QSARs) as an integral part of
computer‐aided drug design and discovery is experiencing one of the most exciting periods …

The need for the development of new drugs to combat existing and newly identified
conditions is unavoidable. One of the important tools used in the advanced drug …

Publisher Summary In drug and agrochemical discovery it is of crucial importance to
understand the relationship between chemical structure and biological activity. The …

Quantitative structure-activity relationship (QSAR) modeling pertains to the construction of
predictive models of biological activities as a function of structural and molecular information …

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

Quantitative Structure-Activity Relationship (QSAR) is based on the hypothesis that changes
in molecular structure reflect changes in the observed response or biological activity. The …

With nearly fifty years of rich history of methodology developments and applications (the
Hansch article of 19631 is often considered first in the field), quantitative structure/activity …

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

Highlights•A few newly introduced molecular descriptors were discussed.•Various
computational approaches to calculate the descriptors are listed.•We described several …