In-silico drug design is a computational strategy that combines a number of tools to help rationalize the various stages of the drug development process. It can assume a critical part in all phases of medication advancement, from preclinical disclosure to late-organize clinical turn of events, including bimolecular target identification, lead compound selection or design, compound modification to improve affinities, and pharmacokinetic and pharmacodynamic parameters. Its application in drug development aids in the selection of only a potent lead molecule, preventing late-stage clinical failures and resulting in a significant cost reduction. This book may help the researchers working in field of in-silico drug discovery for planning their work and execute that effectively.