Table 13. Consensus Ames mutagenicity predictions for a set of candidate PFAS substitutes.
| Reagent [CAS] | Guided-kNN | AD fingerprints | GCNN | XGBoost | AD descriptors | Consensus prediction | Reliability level |
|---|---|---|---|---|---|---|---|
|
Negative | Out | Negative | Negative | In | Negative | Moderate |
|
Negative | In | Positive | Negative | In | Negative | High |
|
Negative | In | Negative | Negative | In | Negative | High |
|
Negative | In | Negative | Negative | In | Negative | High |
|
Negative | In | Negative | Negative | In | Negative | High |
|
Negative | In | Negative | Negative | In | Negative | High |
|
Negative | In | Negative | Negative | In | Negative | High |
|
Negative | In | Negative | Negative | In | Negative | High |