fcfp4 + RandomForestRegressor
Test set | Target label | Metric | Score |
---|---|---|---|
test | LOG_SOLUBILITY | r2 | 0.18509081331958221 |
test | LOG_SOLUBILITY | pearsonr | 0.4393760776097372 |
test | LOG_SOLUBILITY | spearmanr | 0.38732383274719584 |
test | LOG_SOLUBILITY | explained_var | 0.1915517731077192 |
test | LOG_SOLUBILITY | mean_squared_error | 0.44182635457626335 |
test | LOG_SOLUBILITY | mean_absolute_error | 0.4602109285088966 |