Free tools and databases in ligand and structure-based drug design

The aggravated expenditure and high failure rate of conventional routes of drug discovery and development have urged the requirement for the use of computer-aided drug discovery (CADD). CADD is a collection of methods for discovering, developing, and analyzing therapeutically relevant compounds having comparable biochemical properties. It can be achieved through structure-based drug design (SBDD) and ligand-based drug design (LBDD). Various tools and databases are available online for CADD. In this chapter, we have described some of these tools and databases. Toward the end of the chapter, we have listed 46 such tools and databases that can be beneficial for CADD.