美国化学会（ACS）：2025年化学领域AI模型：材料与生命科学领域发展格局研究报告（英文版）

Small molecule drugs continue to dominate pharmaceutical research and development, with AI technologies accelerating their discovery. ML-based virtual screening, QSAR modeling for pharmacokinetic prediction, and deep learning systems optimizing synthetic pathways are now integral to this process. These innovations build upon the inherent advantages of small molecules, including established synthesis routes, well-characterized pharmacokinetics, oral bioavailability, and cost-effective manufacturi