Neural Pairwise Regression with Mordred(-community) Molecular Descriptors
| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | LOG_HPPB | r2 | 0.4992211495855208 |
| test | LOG_HPPB | pearsonr | 0.8094660450548139 |
| test | LOG_HPPB | spearmanr | 0.7806555145405341 |
| test | LOG_HPPB | explained_var | 0.6212714259646027 |
| test | LOG_HPPB | mean_squared_error | 0.30329107077970924 |
| test | LOG_HPPB | mean_absolute_error | 0.461897259822166 |