Artificial Intelligence in Drug Discovery:Applications and Techniques

Artificial intelligence has transformed the practice of drug discovery in the past decade. Various artificial intelligence techniques have been used in a wide range of applications. In this perspective, we present major applications of AI in drug discovery and discuss the relevant AI techniques, covering most recent progress in AI-driven drug discovery. We expect that the perspective will serve as a guide for researchers who are interested in working at this intersected area of artificial intelligence and drug discovery. We also provide a GitHub repository summarizing the surveyed papers as a learning resource, which will be regularly updated.