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| total compounds | active | inactive | imbalance ratio (inactive/active) | |
|---|---|---|---|---|
| First Round | ||||
| full data set | 8474 | 319 | 8155 | 26:1 |
| training set | 5931 | 223 | 5708 | 26:1 |
| test set | 2543 | 96 | 2447 | 25:1 |
| Second Round | ||||
| full data set | 9046 | 456 | 8590 | 19:1 |
| training set | 6332 | 319 | 6013 | 19:1 |
| test set | 2714 | 137 | 2577 | 19:1 |
