CheMeleon Descriptor-based Foundation Model (Chemrop 2.2.1)
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| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | LOG_HPPB | r2 | 0.5893557516862031 |
| test | LOG_HPPB | pearsonr | 0.7927742087726547 |
| test | LOG_HPPB | spearmanr | 0.7740851118931976 |
| test | LOG_HPPB | explained_var | 0.6188939286262357 |
| test | LOG_HPPB | mean_squared_error | 0.2487020641497508 |
| test | LOG_HPPB | mean_absolute_error | 0.425358581117647 |