GNN used as moldescriptors with MLP
| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | CLASS_KIT | f1 | 0 |
| test | CLASS_KIT | mcc | 0 |
| test | CLASS_KIT | pr_auc | 0.3793103448275862 |
| test | CLASS_KIT | roc_auc | 0.5 |
| test | CLASS_KIT | accuracy | 0.6206896551724138 |
| test | CLASS_KIT | cohen_kappa | 0 |
| test | CLASS_KIT_(T6701_mutant) | f1 | 0 |
| test | CLASS_KIT_(T6701_mutant) | mcc | 0 |
| test | CLASS_KIT_(T6701_mutant) | pr_auc | 0.16091954022988506 |
| test | CLASS_KIT_(T6701_mutant) | roc_auc | 0.5 |
| test | CLASS_KIT_(T6701_mutant) | accuracy | 0.8390804597701149 |
| test | CLASS_KIT_(T6701_mutant) | cohen_kappa | 0 |
| test | CLASS_KIT_(V560G_mutant) | f1 | 0 |
| test | CLASS_KIT_(V560G_mutant) | mcc | 0 |
| test | CLASS_KIT_(V560G_mutant) | pr_auc | 0.13793103448275862 |
| test | CLASS_KIT_(V560G_mutant) | roc_auc | 0.5 |
| test | CLASS_KIT_(V560G_mutant) | accuracy | 0.8620689655172413 |
| test | CLASS_KIT_(V560G_mutant) | cohen_kappa | 0 |
