Computers have been applied to many aspects of drug discovery and development over the years. This chapter reviews the some of these applications, starting with chemoinformatics, bioinformatics and molecular structure determination. The emphasis then shifts to more recent machine learning approaches listed under the umbrella term artificial intelligence. A basic introduction to deep neural networks provides some background to algorithms such as the Large Language Models that have the potential to greatly increase the efficiency of drug development. Finally, the hardware considerations are reviewed, including the development of quantum computing.