MACCS, ESM with single position and simple MLP
| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | CLASS_KIT | f1 | 0.631578947368421 |
| test | CLASS_KIT | mcc | 0.4715320480545011 |
| test | CLASS_KIT | pr_auc | 0.7121449108126828 |
| test | CLASS_KIT | roc_auc | 0.8400673400673401 |
| test | CLASS_KIT | accuracy | 0.7586206896551724 |
| test | CLASS_KIT | cohen_kappa | 0.45866666666666667 |
| test | CLASS_KIT_(T6701_mutant) | f1 | 0.48 |
| test | CLASS_KIT_(T6701_mutant) | mcc | 0.3981248004997974 |
| test | CLASS_KIT_(T6701_mutant) | pr_auc | 0.3991494200088825 |
| test | CLASS_KIT_(T6701_mutant) | roc_auc | 0.7964774951076321 |
| test | CLASS_KIT_(T6701_mutant) | accuracy | 0.8505747126436781 |
| test | CLASS_KIT_(T6701_mutant) | cohen_kappa | 0.39421531869309057 |
| test | CLASS_KIT_(V560G_mutant) | f1 | 0.21052631578947367 |
| test | CLASS_KIT_(V560G_mutant) | mcc | 0.1267731382092775 |
| test | CLASS_KIT_(V560G_mutant) | pr_auc | 0.4244417101098135 |
| test | CLASS_KIT_(V560G_mutant) | roc_auc | 0.8866666666666667 |
| test | CLASS_KIT_(V560G_mutant) | accuracy | 0.8275862068965517 |
| test | CLASS_KIT_(V560G_mutant) | cohen_kappa | 0.12121212121212133 |
