ECFP fingerprints with a Random Forest
| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | CLASS_KIT | f1 | 0.05882352941176471 |
| test | CLASS_KIT | mcc | 0.13794014696151086 |
| test | CLASS_KIT | pr_auc | 0.6582166840847875 |
| test | CLASS_KIT | roc_auc | 0.7833894500561168 |
| test | CLASS_KIT | accuracy | 0.632183908045977 |
| test | CLASS_KIT | cohen_kappa | 0.03734439834024894 |
| test | CLASS_KIT_(T6701_mutant) | f1 | 0 |
| test | CLASS_KIT_(T6701_mutant) | mcc | 0 |
| test | CLASS_KIT_(T6701_mutant) | pr_auc | 0.4349800992658135 |
| test | CLASS_KIT_(T6701_mutant) | roc_auc | 0.6526418786692759 |
| test | CLASS_KIT_(T6701_mutant) | accuracy | 0.8390804597701149 |
| test | CLASS_KIT_(T6701_mutant) | cohen_kappa | 0 |
| test | CLASS_KIT_(V560G_mutant) | f1 | 0 |
| test | CLASS_KIT_(V560G_mutant) | mcc | 0 |
| test | CLASS_KIT_(V560G_mutant) | pr_auc | 0.3790114071944567 |
| test | CLASS_KIT_(V560G_mutant) | roc_auc | 0.7855555555555556 |
| test | CLASS_KIT_(V560G_mutant) | accuracy | 0.8620689655172413 |
| test | CLASS_KIT_(V560G_mutant) | cohen_kappa | 0 |
