Neural Pairwise Regression with Mordred(-community) Molecular Descriptors
| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | LOG_RPPB | r2 | 0.7412578398962673 |
| test | LOG_RPPB | pearsonr | 0.8625079254520818 |
| test | LOG_RPPB | spearmanr | 0.8278260869565216 |
| test | LOG_RPPB | explained_var | 0.7439059341245777 |
| test | LOG_RPPB | mean_squared_error | 0.22988774805758586 |
| test | LOG_RPPB | mean_absolute_error | 0.38180363990212846 |