DGLGraphTransformer + GCNModel
| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | LOG_HLM_CLint | r2 | -0.013321613221008777 |
| test | LOG_HLM_CLint | pearsonr | 0.21756104807229712 |
| test | LOG_HLM_CLint | spearmanr | 0.3121147269966351 |
| test | LOG_HLM_CLint | explained_var | 0.03992564082189931 |
| test | LOG_HLM_CLint | mean_squared_error | 0.40946516406323524 |
| test | LOG_HLM_CLint | mean_absolute_error | 0.5478496971809667 |
| test | LOG_HPPB | r2 | -0.20590683302594637 |
| test | LOG_HPPB | pearsonr | 0.4801982795413879 |
| test | LOG_HPPB | spearmanr | 0.32144068595874276 |
| test | LOG_HPPB | explained_var | 0.05507362142294148 |
| test | LOG_HPPB | mean_squared_error | 0.8597459212274375 |
| test | LOG_HPPB | mean_absolute_error | 0.7535957934583187 |
| test | LOG_MDR1-MDCK_ER | r2 | 0.11670021858236823 |
| test | LOG_MDR1-MDCK_ER | pearsonr | 0.4340144653135606 |
| test | LOG_MDR1-MDCK_ER | spearmanr | 0.49484600427299136 |
| test | LOG_MDR1-MDCK_ER | explained_var | 0.11841030338909508 |
| test | LOG_MDR1-MDCK_ER | mean_squared_error | 0.4245331542184565 |
| test | LOG_MDR1-MDCK_ER | mean_absolute_error | 0.546960916252153 |
| test | LOG_RLM_CLint | r2 | 0.03380093062482736 |
| test | LOG_RLM_CLint | pearsonr | 0.19219843307596488 |
| test | LOG_RLM_CLint | spearmanr | 0.24768073126807524 |
| test | LOG_RLM_CLint | explained_var | 0.033808724983515615 |
| test | LOG_RLM_CLint | mean_squared_error | 0.5275955733787763 |
| test | LOG_RLM_CLint | mean_absolute_error | 0.6092404050626357 |
| test | LOG_RPPB | r2 | -0.43208744461328696 |
| test | LOG_RPPB | pearsonr | 0.13256668960039292 |
| test | LOG_RPPB | spearmanr | -0.038153310104529624 |
| test | LOG_RPPB | explained_var | 0.01213694813080557 |
| test | LOG_RPPB | mean_squared_error | 0.7049841780811791 |
| test | LOG_RPPB | mean_absolute_error | 0.6599181766401612 |
| test | LOG_SOLUBILITY | r2 | -0.010568948185910365 |
| test | LOG_SOLUBILITY | pearsonr | 0.029799406217392008 |
| test | LOG_SOLUBILITY | spearmanr | 0.10820058105450331 |
| test | LOG_SOLUBILITY | explained_var | -0.0003607818341029301 |
| test | LOG_SOLUBILITY | mean_squared_error | 0.47011461577321473 |
| test | LOG_SOLUBILITY | mean_absolute_error | 0.5450593952599804 |
