Use of Artificial Intelligence in in Silico Drug Discovery of Pharmaceuticals

Artificial intelligence, a machine-learning process, builds a smart machine that simulates the performance of the human brain and possesses the capability of utilizing a massive amount of data required to achieve a specific goal through learning and problem solving. The idea of artificial intelligence and deep learning turns out to be more useful in pharmaceutical drug development. In this review, we mainly discuss several applications of artificial intelligence including machine learning and deep learning in scientific drug discovery and development, rational drug design and identification of candidate molecules. In addition, we comment on the wide role of machine learning and artificial intelligence approaches to other aspects of drug development.