VIDRAFT AETHER-PharmaOS structure-based ensemble (gradient-boosted trees + tabular foundation model) for PKIS1 EGFR wild-type and L858R-mutant kinase inhibition multitask classification.
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| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | CLASS_EGFR | f1 | 0.88 |
| test | CLASS_EGFR | mcc | 0.8566488420622684 |
| test | CLASS_EGFR | pr_auc | 0.9787545787545788 |
| test | CLASS_EGFR | roc_auc | 0.9949558638083228 |
| test | CLASS_EGFR | accuracy | 0.9594594594594594 |
| test | CLASS_EGFR | cohen_kappa | 0.8556566970091027 |
| test | CLASS_EGFR_(L858R_mutant) | f1 | 0.42105263157894735 |
| test | CLASS_EGFR_(L858R_mutant) | mcc | 0.3832567552239561 |
| test | CLASS_EGFR_(L858R_mutant) | pr_auc | 0.5867883183891922 |
| test | CLASS_EGFR_(L858R_mutant) | roc_auc | 0.8247162673392181 |
| test | CLASS_EGFR_(L858R_mutant) | accuracy | 0.8513513513513513 |
| test | CLASS_EGFR_(L858R_mutant) | cohen_kappa | 0.3488 |