ECFP fingerprints with a magic classifier
| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | CLASS_KIT | f1 | 0.4528301886792453 |
| test | CLASS_KIT | mcc | 0.24849918878433727 |
| test | CLASS_KIT | pr_auc | 0.6215985570805065 |
| test | CLASS_KIT | roc_auc | 0.6820987654320987 |
| test | CLASS_KIT | accuracy | 0.6666666666666666 |
| test | CLASS_KIT | cohen_kappa | 0.23336371923427535 |
| test | CLASS_KIT_(T6701_mutant) | f1 | 0.6363636363636364 |
| test | CLASS_KIT_(T6701_mutant) | mcc | 0.6184041589706107 |
| test | CLASS_KIT_(T6701_mutant) | pr_auc | 0.5626026272577997 |
| test | CLASS_KIT_(T6701_mutant) | roc_auc | 0.7103718199608612 |
| test | CLASS_KIT_(T6701_mutant) | accuracy | 0.9080459770114943 |
| test | CLASS_KIT_(T6701_mutant) | cohen_kappa | 0.5881656804733728 |
| test | CLASS_KIT_(V560G_mutant) | f1 | 0.6153846153846153 |
| test | CLASS_KIT_(V560G_mutant) | mcc | 0.5505378974390719 |
| test | CLASS_KIT_(V560G_mutant) | pr_auc | 0.39121510673234805 |
| test | CLASS_KIT_(V560G_mutant) | roc_auc | 0.76 |
| test | CLASS_KIT_(V560G_mutant) | accuracy | 0.8850574712643678 |
| test | CLASS_KIT_(V560G_mutant) | cohen_kappa | 0.5482866043613708 |
