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Performance characteristics for the eChemPortal and NICEATM datasets excluding any training set substances.
| eChemPortal Substances | NICEATM Substances | |||||||
|---|---|---|---|---|---|---|---|---|
| Accuracy | Balanced Accuracy | Sensitivity | Specificity | Accuracy | Balanced Accuracy | Sensitivity | Specificity | |
| VEGA | 44% | 56% | 80% | 32% | 57% | 58% | 76% | 40% |
| Derek Nexus | 71% | 65% | 53% | 76% | 61% | 61% | 55% | 66% |
| TIMES-SS | 67% | 63% | 55% | 71% | 61% | 61% | 65% | 57% |
