Theoretical studies in computer-aided modelling tools, most importantly the predictive, quantitative structure retention relationship (QSRR) modelling methods, have attracted the attention of researchers and these approaches greatly assist the method development process.
Quantitative structure activity relationship is one of the most common approach in computer aided drug design [12] as well as in many other applications, including predictive toxicology, and risk assessment [13, 14].
In particular, compounds 5b and 5c were found to possess the most potent activity compared with other hybrid agents and were proved with the help of quantitative structure activity relationship studies (QSAR).
Quantitative structure activity relationship studies have shown that PCBs with meta- and para-chlorine substituents are the most similar to dioxins among the PCBs.
quantitative structure use relationship.
One of the most useful tools to study and predict various properties of molecule graphs is the topological indices, which are used directly as simple numerical descriptors in quantitative structure property relationships (QSPR) and quantitative structure activity relationships (QSAR) [1].
three-dimensional quantitative structure activity relationships.
Multipurpose Internet Mail Extensions: (Q SAR: (Quantitative) Structure Activity Relationship.
Computational tools, like QSAR (Quantitative Structure Activity Relationship) models, are the only way to screen large sets of chemicals in short time, with the aim of ranking, highlighting and prioritizing the most environmentally hazardous for focusing further experimental studies.
Quantitative structure activity relationships (QSARs) are theoretical models that relate a quantitative measure of chemical structure to a physical property or a biological effect.
