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 …

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

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

After nearly five decades “in the making”, QSAR modeling has established itself as one of
the major computational molecular modeling methodologies. As any mature research …

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 has been traditionally applied
as an evaluative approach, ie, with the focus on developing retrospective and explanatory …

Quantitative structure-activity relationship (QSAR) modeling is themajor cheminformatics
approach to exploring and exploiting the dependency of chemical, biological, toxicological …

Quantitative Structure–Activity Relationship (QSAR) is a popular approach developed to
correlate chemical molecules with their biological activities based on their chemical …

Introduction: Quantitative structure–activity relationship (QSAR) modeling is one of the most
popular computer-aided tools employed in medicinal chemistry for drug discovery and lead …

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