ECFP fingerprints with a magic classifier
| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | CLASS_KIT | f1 | 0.5 |
| test | CLASS_KIT | mcc | 0.3321585452517944 |
| test | CLASS_KIT | pr_auc | 0.7043296916264677 |
| test | CLASS_KIT | roc_auc | 0.8392255892255892 |
| test | CLASS_KIT | accuracy | 0.7011494252873564 |
| test | CLASS_KIT | cohen_kappa | 0.30825688073394497 |
| test | CLASS_KIT_(T6701_mutant) | f1 | 0.5 |
| test | CLASS_KIT_(T6701_mutant) | mcc | 0.4041095890410959 |
| test | CLASS_KIT_(T6701_mutant) | pr_auc | 0.4255672488431109 |
| test | CLASS_KIT_(T6701_mutant) | roc_auc | 0.6164383561643836 |
| test | CLASS_KIT_(T6701_mutant) | accuracy | 0.8390804597701149 |
| test | CLASS_KIT_(T6701_mutant) | cohen_kappa | 0.40410958904109595 |
| test | CLASS_KIT_(V560G_mutant) | f1 | 0.5517241379310345 |
| test | CLASS_KIT_(V560G_mutant) | mcc | 0.47541224923500774 |
| test | CLASS_KIT_(V560G_mutant) | pr_auc | 0.3793103448275862 |
| test | CLASS_KIT_(V560G_mutant) | roc_auc | 0.7638888888888887 |
| test | CLASS_KIT_(V560G_mutant) | accuracy | 0.8505747126436781 |
| test | CLASS_KIT_(V560G_mutant) | cohen_kappa | 0.4652482269503546 |
