CheMeleon Descriptor-based Foundation Model (Chemrop 2.2.1)
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| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | LOG_MDR1-MDCK_ER | r2 | 0.6743783032122801 |
| test | LOG_MDR1-MDCK_ER | pearsonr | 0.8219887223753894 |
| test | LOG_MDR1-MDCK_ER | spearmanr | 0.816690738779204 |
| test | LOG_MDR1-MDCK_ER | explained_var | 0.6744332749571466 |
| test | LOG_MDR1-MDCK_ER | mean_squared_error | 0.1613105696661824 |
| test | LOG_MDR1-MDCK_ER | mean_absolute_error | 0.293183357256149 |