docking boosting fingerprinting pruned and hyperparametered
| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | CLASS_KIT | f1 | 0.5000000000000001 |
| test | CLASS_KIT | mcc | 0.3957369632821075 |
| test | CLASS_KIT | pr_auc | 0.6842820877914133 |
| test | CLASS_KIT | roc_auc | 0.824354657687991 |
| test | CLASS_KIT | accuracy | 0.7241379310344828 |
| test | CLASS_KIT | cohen_kappa | 0.34463276836158185 |
| test | CLASS_KIT_(T6701_mutant) | f1 | 0.5185185185185186 |
| test | CLASS_KIT_(T6701_mutant) | mcc | 0.4306405198876037 |
| test | CLASS_KIT_(T6701_mutant) | pr_auc | 0.5751694539845876 |
| test | CLASS_KIT_(T6701_mutant) | roc_auc | 0.8297455968688845 |
| test | CLASS_KIT_(T6701_mutant) | accuracy | 0.8505747126436781 |
| test | CLASS_KIT_(T6701_mutant) | cohen_kappa | 0.43022670025188914 |
| test | CLASS_KIT_(V560G_mutant) | f1 | 0.6363636363636365 |
| test | CLASS_KIT_(V560G_mutant) | mcc | 0.5874112256775045 |
| test | CLASS_KIT_(V560G_mutant) | pr_auc | 0.6319144317128189 |
| test | CLASS_KIT_(V560G_mutant) | roc_auc | 0.8755555555555555 |
| test | CLASS_KIT_(V560G_mutant) | accuracy | 0.9080459770114943 |
| test | CLASS_KIT_(V560G_mutant) | cohen_kappa | 0.5842293906810037 |
