Abstract: The rapid advancements in artificial intelligence (AI) and computational sciences, particularly through the introduction of artificial intelligence drug design (AIDD) and computer-aided drug design (CADD) technologies, have revolutionized pathways in drug development. These include techniques such as natural language processing, image recognition, deep learning, and machine learning. By employing advanced algorithms and data processing techniques, these technologies have significantly enhanced the efficiency and success rate of R&D processes. In drug discovery, AI technologies have accelerated the identification of drug targets, screening of candidate drugs, pharmacological assessments, and quality control, effectively reducing R&D risks and costs. This article delves into the application of AIDD and CADD in drug development, analyzing their roles in enhancing the success rates and efficiencies of drug design, exploring their future trends, and addressing the potential challenges.