Thesis on qsar

The alternative to this labor intensive obtained for each compound. A Quanti tative Structure Activity Relationship (QSAR) can then be utiliz ed to help guid e chemical synthesis. This chapter develops the concepts used to derive a QSAR and reviews the application of these techniques to medicinal research.

Since the purpose of a QSAR i s to or more structural features which rel ate th ese molecules and their associated activity. molecules in the series. There are several potent ial classes of parameters used in QSAR studies. Substituent measure the electronic effects of a group on the molecule. Fragment count s are used to

QSAR study was a predictive tool for investigations antidiabetic drugs based on sitagliptin as potential antioxidant agents. Hydrophobicity, counts of rotatable bonds, hydrogen bond donor and acceptor atoms, and topological polar surface area were used as descriptors in this research.

Since QSAR is based on the relat ionship terms of the free energy changes that occu r during the biological response. When concentration of the compound. transformation moves the data to a nearl y normal distribution. Thus, when measuring , etc.) as log [C] or log 1/ [C]. The transformed data for the capsaicin agonists are shown in Table 2.