Computing molecular descriptors (Mordred) + gin_supervised_infomax + Random Forest
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| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | CLASS_KIT | f1 | 0.21621621621621623 |
| test | CLASS_KIT | mcc | 0.2808218263205454 |
| test | CLASS_KIT | pr_auc | 0.9117905282655437 |
| test | CLASS_KIT | roc_auc | 0.9489337822671156 |
| test | CLASS_KIT | accuracy | 0.6666666666666666 |
| test | CLASS_KIT | cohen_kappa | 0.14619289340101516 |
| test | CLASS_KIT_(T6701_mutant) | f1 | 0.13333333333333333 |
| test | CLASS_KIT_(T6701_mutant) | mcc | 0.246234094381506 |
| test | CLASS_KIT_(T6701_mutant) | pr_auc | 0.7218199821858358 |
| test | CLASS_KIT_(T6701_mutant) | roc_auc | 0.8140900195694717 |
| test | CLASS_KIT_(T6701_mutant) | accuracy | 0.8505747126436781 |
| test | CLASS_KIT_(T6701_mutant) | cohen_kappa | 0.11433046202036012 |
| 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 |