Datasets:
Update README.md
Browse files
README.md
CHANGED
|
@@ -147,6 +147,9 @@ Split and evaluate the catboost model
|
|
| 147 |
references=split_featurised_dataset["test"]['logP'],
|
| 148 |
predictions=preds["cat_boost_regressor::logP"])
|
| 149 |
|
|
|
|
|
|
|
|
|
|
| 150 |
## Citation
|
| 151 |
J. Med. Chem. 2015, 58, 17, 7076–7087
|
| 152 |
Publication Date:August 21, 2015
|
|
|
|
| 147 |
references=split_featurised_dataset["test"]['logP'],
|
| 148 |
predictions=preds["cat_boost_regressor::logP"])
|
| 149 |
|
| 150 |
+
### Data splits
|
| 151 |
+
Here we have used the `Realistic Split` method described in [(Martin et al., 2018)](https://doi.org/10.1021/acs.jcim.7b00166) to split the AggregatorAdvisor dataset.
|
| 152 |
+
|
| 153 |
## Citation
|
| 154 |
J. Med. Chem. 2015, 58, 17, 7076–7087
|
| 155 |
Publication Date:August 21, 2015
|