Some Medicinal Chemistry Applications of the QSAR/QSPR Theory

Abstract

The application of QSAR/QSPR techniques and computer-aided modelling are considered valuable tools to initiate the search for new drugs, and nowadays are being intensively used for this purpose. Trustworthy models can provide insight into the structural characteristics that may influence the drug inhibitory activity, drastically improving the success and the pace of the development of more effective drugs with weaker secondary effects. The present book chapter revises and comments on different recent QSAR/QSPR applications conducted in the Medicinal Chemistry field in the last five years (2016-2020), developed on various interesting biological activities and physicochemical properties of drug compounds.