Background: Quantitative Structure Activity Relationship (QSAR) is a difficult computational
chemistry approach for beginner scientists and a time consuming one for even more …

Abstract Quantitative Structure–Activity Relationship not only provides guidelines regarding
structural features responsible for biological activity but it can be used also for prediction of …

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

The quantitative structure-activity relationship (QSAR) is an important branch of in silico
modeling approaches that has significant applications in medicinal chemistry, materials …

Accurate predictions of druggability and bioactivities of compounds are desirable to reduce
the high cost and time of drug discovery. After more than five decades of continuing …

With the advances in scientific computation and theoretical methods to calculate chemical
structures and their properties, QSAR approaches have become physicochemically and …

Highlights•A few newly introduced molecular descriptors were discussed.•Various
computational approaches to calculate the descriptors are listed.•We described several …

Understanding the relationship between structure and property is important in current
research works. The QSAR/QSPR (Quantitative Structure–Activity Relationship/Quantitative …

CORAL (CORrelation And Logic) software can be used to build up the quantitative structure–
property/activity relationships (QSPR/QSAR) with optimal descriptors calculated with the …

Traditional drug discovery effectively contributes to the treatment of many diseases but is
limited by high costs and long cycles. Quantitative structure–activity relationship (QSAR) …