We investigated and computed the correlation between rankings derived from the modelagnostic and model-dependent approaches (Table ). Within the model-dependent approach, we found that there is a strong correlation between classical ML and GNN rankings (Spearman's ρ=0.905), suggesting the consistent splitter ranking across these architectures. When comparing the correlations between the splitter rankings by model-agnostic and modeldependent approaches, we found that the Tanimoto metric rankings showed stronger correlations to both classical ML and GNN rankings than the TMD rankings (Tanimoto distances: