VIDRAFT AETHER-PharmaOS structure-based ensemble (gradient-boosted trees + tabular foundation model) for PKIS1 KIT wild-type, T670I and V560G mutant kinase percent-inhibition multitask regression.
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| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | KIT | r2 | 0.36466770895437106 |
| test | KIT | pearsonr | 0.7018661912996624 |
| test | KIT | spearmanr | 0.6593126198973989 |
| test | KIT | explained_var | 0.42502304372519195 |
| test | KIT | mean_squared_error | 1078.430762614375 |
| test | KIT | mean_absolute_error | 26.753515810098133 |
| test | KIT_(T6701_mutant) | r2 | 0.12875297027872312 |
| test | KIT_(T6701_mutant) | pearsonr | 0.6044657339028415 |
| test | KIT_(T6701_mutant) | spearmanr | 0.597627932626003 |
| test | KIT_(T6701_mutant) | explained_var | 0.2827655496593269 |
| test | KIT_(T6701_mutant) | mean_squared_error | 936.7525802074105 |
| test | KIT_(T6701_mutant) | mean_absolute_error | 19.19427972935998 |
| test | KIT_(V560G_mutant) | r2 | 0.36451442817924373 |
| test | KIT_(V560G_mutant) | pearsonr | 0.7517899188655923 |
| test | KIT_(V560G_mutant) | spearmanr | 0.6708889597667107 |
| test | KIT_(V560G_mutant) | explained_var | 0.4793622103155848 |
| test | KIT_(V560G_mutant) | mean_squared_error | 629.3824778841025 |
| test | KIT_(V560G_mutant) | mean_absolute_error | 16.789121603191848 |