Computing molecular descriptors (Mordred) + gin_supervised_infomax + Random Forest
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| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | CLASS_KIT | f1 | 0 |
| test | CLASS_KIT | mcc | 0 |
| test | CLASS_KIT | pr_auc | 0.8633902322412546 |
| test | CLASS_KIT | roc_auc | 0.9191919191919192 |
| test | CLASS_KIT | accuracy | 0.6206896551724138 |
| test | CLASS_KIT | cohen_kappa | 0 |
| test | CLASS_KIT_(T6701_mutant) | f1 | 0.21052631578947367 |
| test | CLASS_KIT_(T6701_mutant) | mcc | 0.16066303363435225 |
| test | CLASS_KIT_(T6701_mutant) | pr_auc | 0.7160258127227213 |
| test | CLASS_KIT_(T6701_mutant) | roc_auc | 0.7818003913894326 |
| test | CLASS_KIT_(T6701_mutant) | accuracy | 0.8275862068965517 |
| test | CLASS_KIT_(T6701_mutant) | cohen_kappa | 0.13747521480502312 |
| test | CLASS_KIT_(V560G_mutant) | f1 | 0 |
| test | CLASS_KIT_(V560G_mutant) | mcc | 0 |
| test | CLASS_KIT_(V560G_mutant) | pr_auc | 0.7571248196248197 |
| test | CLASS_KIT_(V560G_mutant) | roc_auc | 0.9005555555555556 |
| test | CLASS_KIT_(V560G_mutant) | accuracy | 0.8620689655172413 |
| test | CLASS_KIT_(V560G_mutant) | cohen_kappa | 0 |