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In this study, we benchmarked various feature representations, including functional group (FG) fingerprints, classical molecular descriptors (MD), and Morgan structural fingerprints across diverse ML algorithms such as Random Forest (RF), XGBoost (XGB), and LightGBM (LGBM)

accumulating evidence suggests that it promotes tumor-associated macrophage polarization toward an M2-like immunosuppressive phenotype, thereby reinforcing a tumor-permissive microenvironment [23, 24]