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 …

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 (QSAR), as an integral part of
computer-aided drug design and discovery, is experiencing one of the most exciting periods …

Publisher Summary Medicinal chemists attempt to develop qualitative structure–activity
relationships (SAR) for a synthesized series of compounds in a drug discovery project which …

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 …

Quantitative Structure Activity Relationship (QSAR) modeling has been traditionally applied
as an evaluative approach, ie, with the focus on developing retrospective and explanatory …

This perspective concerns the methods employed within the current drug discovery
community to develop predictive quantitative structure–activity relationships (QSAR) …

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

Quantitative structure–activity relationship modeling is one of the major computational tools
employed in medicinal chemistry. However, throughout its entire history it has drawn both …

Emperial methods for building predictive models of the relationships between molecular
stucture and useful properties are becoming increasingly importment. This has arisen …