Paper Key : IRJ************173
Author: Jawale Sanket Parmeshwar
Date Published: 10 Nov 2024
Abstract
Abstract: Computational methods are well-established tools in the drug discovery process and can be employed for a variety of tasks. Common applications include lead identification and scaffold hopping, as well as lead optimization by structure-activity relationship analysis and selectivity profiling. In addition, compound-target interactions associated with potentially harmful effects can be identified and investigated.