Table 4.
Substructural features from GCNN model that represent low permeability compounds.
| Substructure | Rationale Score | Frequency |
|---|---|---|
|
0.68 | 57 |
|
0.75 | 125 |
|
0.82 | 54 |
|
1.01 | 51 |
|
0.98 | 44 |
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