GIRAFFE embeddings with a MLP.
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| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | LOG_HLM_CLint | r2 | 0.4688403789832435 |
| test | LOG_HLM_CLint | pearsonr | 0.6918134124318768 |
| test | LOG_HLM_CLint | spearmanr | 0.6852320001716566 |
| test | LOG_HLM_CLint | explained_var | 0.473292995916895 |
| test | LOG_HLM_CLint | mean_squared_error | 0.21463211533805157 |
| test | LOG_HLM_CLint | mean_absolute_error | 0.3497918995954823 |
| test | LOG_HPPB | r2 | 0.617608512873415 |
| test | LOG_HPPB | pearsonr | 0.7969707209973877 |
| test | LOG_HPPB | spearmanr | 0.8264207965938513 |
| test | LOG_HPPB | explained_var | 0.6337991073982439 |
| test | LOG_HPPB | mean_squared_error | 0.2726243125633754 |
| test | LOG_HPPB | mean_absolute_error | 0.3791609815677085 |
| test | LOG_MDR1-MDCK_ER | r2 | 0.546006206197132 |
| test | LOG_MDR1-MDCK_ER | pearsonr | 0.7433614263959111 |
| test | LOG_MDR1-MDCK_ER | spearmanr | 0.7809594683109339 |
| test | LOG_MDR1-MDCK_ER | explained_var | 0.5492186128230152 |
| test | LOG_MDR1-MDCK_ER | mean_squared_error | 0.2181993263594029 |
| test | LOG_MDR1-MDCK_ER | mean_absolute_error | 0.35651832002619027 |
| test | LOG_RLM_CLint | r2 | 0.4818344572818416 |
| test | LOG_RLM_CLint | pearsonr | 0.7031901159399805 |
| test | LOG_RLM_CLint | spearmanr | 0.7129702286739871 |
| test | LOG_RLM_CLint | explained_var | 0.48354110078689727 |
| test | LOG_RLM_CLint | mean_squared_error | 0.28294567370293966 |
| test | LOG_RLM_CLint | mean_absolute_error | 0.4137711078146632 |
| test | LOG_RPPB | r2 | 0.45478610401872466 |
| test | LOG_RPPB | pearsonr | 0.6948678351807381 |
| test | LOG_RPPB | spearmanr | 0.7247386759581882 |
| test | LOG_RPPB | explained_var | 0.4585085337986231 |
| test | LOG_RPPB | mean_squared_error | 0.26839643890641696 |
| test | LOG_RPPB | mean_absolute_error | 0.4052285200164857 |
| test | LOG_SOLUBILITY | r2 | 0.2867916679160851 |
| test | LOG_SOLUBILITY | pearsonr | 0.558961552408889 |
| test | LOG_SOLUBILITY | spearmanr | 0.4900376299941348 |
| test | LOG_SOLUBILITY | explained_var | 0.29580351214824385 |
| test | LOG_SOLUBILITY | mean_squared_error | 0.3317830630020537 |
| test | LOG_SOLUBILITY | mean_absolute_error | 0.41306097238794504 |