Table 7 Similarity to the nearest neighbor (SNN) and Scaffold similarity (Scaff) metrics
From: Learning self-supervised molecular representations for drug–drug interaction prediction
Datasets | SNN (\(\uparrow\)) | Scaff (\(\uparrow\)) |
|---|---|---|
10,000–20000 | 0.7697 | 0.9220 |
20,000–30000 | 0.8696 | 0.9692 |
30,000–40000 | 0.9136 | 0.9845 |
40,000–50000 | 0.9370 | 0.9902 |