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

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

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 …

Prediction of chemical bioactivity and physical properties has been one of the most
important applications of statistical and more recently, machine learning and artificial …

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

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 …

Summary QSAR (Quantitative Structure Activity Relationships) have been applied for
decades in the development of relationships between physicochemical properties of …

In their seminal work on quantitative structure− activity relationship (QSAR), Hansch and co-
workers predicted in 1962 that Hammett functions and partition coefficients would become …

The goal of a quantitative structure–activity relationship (QSAR) model is to encode the
relationship between molecular structure and biological activity or physical property. Based …