ECFP fingerprints with a Random Forest
| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | CLASS_KIT | f1 | 0 |
| test | CLASS_KIT | mcc | 0 |
| test | CLASS_KIT | pr_auc | 0.6936624519864575 |
| test | CLASS_KIT | roc_auc | 0.8007856341189675 |
| test | CLASS_KIT | accuracy | 0.6206896551724138 |
| test | CLASS_KIT | cohen_kappa | 0 |
| test | CLASS_KIT_(T6701_mutant) | f1 | 0 |
| test | CLASS_KIT_(T6701_mutant) | mcc | 0 |
| test | CLASS_KIT_(T6701_mutant) | pr_auc | 0.4118536872484241 |
| test | CLASS_KIT_(T6701_mutant) | roc_auc | 0.7005870841487281 |
| 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 | 0.44740974316190374 |
| test | CLASS_KIT_(V560G_mutant) | roc_auc | 0.7155555555555556 |
| test | CLASS_KIT_(V560G_mutant) | accuracy | 0.8620689655172413 |
| test | CLASS_KIT_(V560G_mutant) | cohen_kappa | 0 |
