Improve references

README.md

@@ -65,8 +65,11 @@ dataset_info:
     num_examples: 2529
 ---
 
-# Aggregator Advisor 
-The train and test datasets uploaded to our Hugging Face repository have been sanitized and split from the original dataset, which contains 12645 compounds.
+# Aggregator Advisor
+The [Aggregator Advisor](https://advisor.docking.org/) is a web-tool hosted by the Shoichet Lab at UCSF and used to assess the risk of a compound being an aggregetor.
+The most current release (2022/06) contains 12645 compounds from 20 sources.
+
+The train and test datasets uploaded to our Hugging Face repository have been sanitized and split from the original dataset
 If you want to try these processes with the original dataset, please follow the instructions in the [Processing Script.py](https://huggingface.co/datasets/maomlab/AggregatorAdvisor/blob/main/Preprocessing%20Script.py) file located in the AggregatorAdvisor.
 The [raw_data.csv](https://huggingface.co/datasets/maomlab/AggregatorAdvisor/blob/main/raw_data.csv) is the original dataset from the paper, 
 and the files in [AggregatorAdvisor](https://huggingface.co/datasets/maomlab/AggregatorAdvisor/tree/main/AggregatorAdvisor) are the sanitized version files that we made.
@@ -151,6 +154,9 @@ Split and evaluate the catboost model
 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
-https://doi.org/10.1021/acs.jmedchem.5b01105
+If you use this dataset please cite:
+
+    An Aggregation Advisor for Ligand Discovery
+    John J. Irwin, Da Duan, Hayarpi Torosyan, Allison K. Doak, Kristin T. Ziebart, Teague Sterling, Gurgen Tumanian, Brian K. Shoichet,
+    J. Med. Chem. 2015, 58, 17, 7076–7087
+    DOI: https://doi.org/10.1021/acs.jmedchem.5b01105