ABSTRACT
Computer-aided drug delivery is used in drug discovery and development, and has become an effective technique over the past few years. The process behind the discovery and development of drugs is very challenging, costly, and time consuming. Following the development of computational tools and methods, the speed of this process is accelerating. This chapter describes the application of computational simulation in the drug delivery system. It also describes the two methods of computer-aided drug delivery used for drug development, namely the ligand-based and structure-based drug designs. It provides an insight into the molecular dynamics and molecular docking for drug development. The chapter also describes the methods of deep learning used for the discovery of drugs associated with Artificial Neural Network and Convolutional Neural Network, and also summarizes the machine learning methods used for accelerated drug development. Computer-aided drug delivery is used in drug development and delivery because it requires significantly less preparation time. It is also inexpensive and speeds up drug delivery and development.
