A Chemoinformatics Investigation of Spectral and Quantum Chemistry Patterns for Discovering New Drug Leads from Natural Products Targeting the PD-1/PD-L1 Immune Checkpoint, with a Particular Focus on Naturally Occurring Marine Products

利用化学信息学方法研究天然产物中靶向PD-1/PD-L1免疫检查点的光谱和量子化学模式，以发现新的先导药物，尤其关注天然海洋产物。