DGLGraphTransformer + PNAModel
No links found.
| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | LOG_HLM_CLint | r2 | 0.09997190045088888 |
| test | LOG_HLM_CLint | pearsonr | 0.3528984794450538 |
| test | LOG_HLM_CLint | spearmanr | 0.3501653455722435 |
| test | LOG_HLM_CLint | explained_var | 0.10240468230845778 |
| test | LOG_HLM_CLint | mean_squared_error | 0.3636852788247209 |
| test | LOG_HLM_CLint | mean_absolute_error | 0.49723587738177066 |
| test | LOG_HPPB | r2 | -0.9629520649527779 |
| test | LOG_HPPB | pearsonr | 0.5963497561359391 |
| test | LOG_HPPB | spearmanr | 0.5493848101535842 |
| test | LOG_HPPB | explained_var | 0.15071343146454108 |
| test | LOG_HPPB | mean_squared_error | 1.3994779573255933 |
| test | LOG_HPPB | mean_absolute_error | 1.013119076163241 |
| test | LOG_MDR1-MDCK_ER | r2 | 0.08688607212079791 |
| test | LOG_MDR1-MDCK_ER | pearsonr | 0.3881610936554937 |
| test | LOG_MDR1-MDCK_ER | spearmanr | 0.3572260383456582 |
| test | LOG_MDR1-MDCK_ER | explained_var | 0.09460191345248448 |
| test | LOG_MDR1-MDCK_ER | mean_squared_error | 0.4388624837438729 |
| test | LOG_MDR1-MDCK_ER | mean_absolute_error | 0.5505191318562349 |
| test | LOG_RLM_CLint | r2 | -0.2459490666100992 |
| test | LOG_RLM_CLint | pearsonr | 0.3028680320556819 |
| test | LOG_RLM_CLint | spearmanr | 0.3213061793911196 |
| test | LOG_RLM_CLint | explained_var | 0.03198577192861407 |
| test | LOG_RLM_CLint | mean_squared_error | 0.6803538039257376 |
| test | LOG_RLM_CLint | mean_absolute_error | 0.6822777934842023 |
| test | LOG_RPPB | r2 | -0.6700356466044575 |
| test | LOG_RPPB | pearsonr | -0.09716657042992331 |
| test | LOG_RPPB | spearmanr | -0.037979094076655055 |
| test | LOG_RPPB | explained_var | -0.01539475718502481 |
| test | LOG_RPPB | mean_squared_error | 0.8221206827252359 |
| test | LOG_RPPB | mean_absolute_error | 0.7283001445667159 |
| test | LOG_SOLUBILITY | r2 | -0.38890644749838565 |
| test | LOG_SOLUBILITY | pearsonr | -0.22480306834034824 |
| test | LOG_SOLUBILITY | spearmanr | -0.06813951931458875 |
| test | LOG_SOLUBILITY | explained_var | -0.38169848757038927 |
| test | LOG_SOLUBILITY | mean_squared_error | 0.6461164496324149 |
| test | LOG_SOLUBILITY | mean_absolute_error | 0.5847113056441391 |