New drugs developed with the help of artificial intelligence have significantly improved efficiency in key stages—such as drug target identification, compound screening, molecular generation, and ADMET property prediction—through algorithms like AI deep learning, driving the transformation of drug R&D toward greater intelligence and precision. However, current AI models still face challenges such as insufficient generalization ability, a lack of interpretability, and difficulties in modeling complex systems. In the future, it will be necessary to develop algorithms with greater adaptability and interpretability, and to integrate multidisciplinary data to build an integrated intelligent drug discovery platform, thereby accelerating the new drug R&D process and meeting clinical needs.
关键词
人工智能/药物设计/新药研发/评述
Key words
Artificial Intelligence/ Drug design/ New drug research and development/ Commentary
