Quantitative structure-activity relationship (QSAR) has been instrumental in aiding medicinal
chemists and physical scientists in understanding how modification of substituents at …

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

Abstract Development of predictive quantitative structure–activity relationship (QSAR)
models plays a significant role in the design of purpose-specific fine chemicals including …

Quantitative Structure-Activity Relationship (QSAR) is based on the hypothesis that changes
in molecular structure reflect changes in the observed response or biological activity. The …

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

Background Quantitative structure–activity relationship (QSAR) modeling is one of the most
important computational tools employed in drug discovery and development. The external …

As the 21st century approaches, there is little doubt that the tools and resources are
available to unlock all the secrets of Quantitative Structure-Activity Relationships (QSAR) in …

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 …

Abstract Quantitative Structure Activity Relationship (QSAR) are mathematical models that
seek to predict complicated physicochemical/biological properties of chemicals from their …

Publisher Summary In drug and agrochemical discovery it is of crucial importance to
understand the relationship between chemical structure and biological activity. The …