CheMeleon Descriptor-based Foundation Model (Chemrop 2.2.1)
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| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | CLS_RET | f1 | 0.5185185185185185 |
| test | CLS_RET | mcc | 0.47461444098550204 |
| test | CLS_RET | pr_auc | 0.638890674788539 |
| test | CLS_RET | roc_auc | 0.8585591539986781 |
| test | CLS_RET | accuracy | 0.8773584905660378 |
| test | CLS_RET | cohen_kappa | 0.45360824742268047 |