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

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 …

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

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

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 …

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 …

Quantitative structure—activity relationships (QSARs) attempt to correlate chemical structure
with activity using statistical approaches. The QSAR models are useful for various purposes …

Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk
Assessment describes the historical evolution of quantitative structure-activity relationship …

Quantitative structure-activity relationship (QSAR) methods are important for prediction of
biological effect of chemical compounds based on mathematical and statistical relations …