CheMeleon Descriptor-based Foundation Model (Chemrop 2.2.1)
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| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | LOG_SOLUBILITY | r2 | 0.4635099613247756 |
| test | LOG_SOLUBILITY | pearsonr | 0.6821876617004294 |
| test | LOG_SOLUBILITY | spearmanr | 0.5881050024739194 |
| test | LOG_SOLUBILITY | explained_var | 0.46502969959156115 |
| test | LOG_SOLUBILITY | mean_squared_error | 0.29087343955457323 |
| test | LOG_SOLUBILITY | mean_absolute_error | 0.35530781791149996 |