ECFP fingerprints with a Random Forest
Test set | Target label | Metric | Score |
---|---|---|---|
test | LOG_SOLUBILITY | r2 | 0.11935389369465099 |
test | LOG_SOLUBILITY | pearsonr | 0.423049301592726 |
test | LOG_SOLUBILITY | spearmanr | 0.38111496734759137 |
test | LOG_SOLUBILITY | explained_var | 0.1255985208113164 |
test | LOG_SOLUBILITY | mean_squared_error | 0.47746750825777956 |
test | LOG_SOLUBILITY | mean_absolute_error | 0.49191374324409937 |