Table 2 Edge features of compressed graph representation
From: Compressed graph representation for scalable molecular graph generation
Feature | Type | Dimensionality |
|---|---|---|
Bond type | One-hot (single, double, triple, or none) | 3 |
Pattern 1 count | One-hot (1, 2, 3, or none) | 3 |
Pattern 2 count | One-hot (1, 2, 3, or none) | 3 |
Pattern 3 count | One-hot (1, 2, or none) | 2 |
Pattern 4 count | One-hot (1, or none) | 1 |
Pattern 5 count | One-hot (1, 2, or none) | 2 |
Pattern 6 count | One-hot (1, or none) | 1 |
Total (q) | Â | 15 |