Computational techniques are used in computer-aided drug design to find, develop, and study drugs and other physiologically active compounds. The ligand-based computer-aided drug discovery (LB-CADD) method examines ligands that have been shown to interact with a target of interest. Computer-aided drug design (CADD) is a broad term that refers to a variety of theoretical and computational methodologies used in modern drug development. CADD approaches have aided in the creation of medications that are currently in use or are through clinical testing. Along with the experimental procedures employed in drug creation, such methods have emerged and evolved. Millions of drug compounds (virtual screening) and drug targets (protein receptors, enzymes, kinases, signalling proteins, and so on) can be screened using CADD.