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AggregatorAdvisor

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medicinal chemistry

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haneulpark commited on Jun 25

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@@ -147,6 +147,9 @@ Split and evaluate the catboost model
         references=split_featurised_dataset["test"]['logP'],
         predictions=preds["cat_boost_regressor::logP"])
 ## Citation
 J. Med. Chem. 2015, 58, 17, 7076–7087
 Publication Date:August 21, 2015

         references=split_featurised_dataset["test"]['logP'],
         predictions=preds["cat_boost_regressor::logP"])
+### Data splits
+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.
 ## Citation
 J. Med. Chem. 2015, 58, 17, 7076–7087
 Publication Date:August 21, 2015