This brief goes back to basics and describes the Quantitative structure-activity property
relationships (QSARs QSPRs) that represent predictive models derived from the application of
statistical tools correlating biological activity (including therapeutic and toxic) and
properties of chemicals (drugs toxicants environmental pollutants) with descriptors
representative of molecular structure and or properties. It explains how the sub-discipline of
Cheminformatics is used for many applications such as risk assessment toxicity prediction
property prediction and regulatory decisions apart from drug discovery and lead optimization.
The authors also present in basic terms how QSARs and related chemometric tools are
extensively involved in medicinal chemistry environmental chemistry and agricultural chemistry
for ranking of potential compounds and prioritizing experiments. At present there is no
standard or introductory publication available that introduces this important topic to students
of chemistry and pharmacy. With this in mind the authors have carefully compiled this brief in
order to provide a thorough and painless introduction to the fundamental concepts of QSAR QSPR
modelling. The brief is aimed at novice readers.
