Abstract: With the rapid development of artificial intelligence and the gradual deepening of people's understanding of the mechanisms of tumor diseases, artificial intelligence has played an important role in the research and development of anti-tumor drugs. This article briefly introduces the main models of artificial intelligence and its advantages in drug research and development, and summarizes the application and progress of artificial intelligence in anti-tumor drug research and development in recent years from four aspects: structure based, ligand based, tumor cell phenotype, and electronic health records. It also summarizes the opportunities and challenges of artificial intelligence in anti-tumor drug research and development, hoping to provide ideas and references for scientific and technical personnel engaged in related fields.