Table 3.
The time cost for each module (seconds).
| Modules | Drug Dataset (60 mols) |
Focused Dataset (50 mols) |
Random Dataset (500 mols) |
|---|---|---|---|
| Identification & Visualization | 8 | 6 | 10 |
| Chemical Space | 26 | 31 | 124 |
| ADMET Prediction | 61 | 58 | 87 |
| Molecular Alignment | 227 | 25 | 86 |
| Drugs Mapping | 32 | 25 | 73 |
| Target & Pathway | 24 | 18 | 19 |