Update the dataset summary

README.md

@@ -8,17 +8,20 @@ tags:
 pretty_name: AggregatorAdvisor
 size_categories:
 - 10K<n<100K
-dataset_summary: >-
-  AggregatorAdvisor identifies molecules that are known to aggregate or may
-  aggregate in biochemical assays based on the chemical similarity to known
-  aggregators, and physical properties. In the default affinity range of 100 nM
-  to 10 μM, if calculated LogP > 3 and Tc ≥ 85%, the user is informed that this
-  compound should be investigated as an aggregator.  If either calculated LogP >
-  3 or Tc > 85%, the user is warned that one of these two contributing criteria
-  are in effect and that controls should be run.  If neither of these is true,
-  this is reported, and the user is counseled that controls are always advised.
-  The train and test datasets were created after sanitizing and splitting the
-  original dataset in the paper below.
+dataset_summary:
+  12645 compounds from 20 sources from the AggregatorAdvisor release-2022/06
+  (https://advisor.docking.org/) that are experimentally determined to aggregate
+  thereby potentially causing false-positive outcomes in high-throughput drug screening.
+dataset_description: >-
+  Many drug-like molecules phase-separate in aqueous solutions causing false-positives
+  in in biochemical assays often used for drug screening. 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 molecules being an aggregetor, may aggregate in
+  biochemical assays based on the chemical similarity to known aggregators, and
+  physical properties. This dataset includes the known aggregator from the
+  Aggregator Advisor 2022/06 release curated from 20 sources. Since
+  aggregation is dependent on the hydrophobicity of the compound, the predicted
+  logP is also computed for each compound.
 citation: |-
   @article 
     {Irwin2015, title = {An Aggregation Advisor for Ligand Discovery},
@@ -66,8 +69,11 @@ dataset_info:
 ---
 
 # 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 [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 molecules being
+an aggregetor, may aggregate in biochemical assays based on the chemical
+similarity to known aggregators, and physical properties. The most current
+release (2022/06) contains 12645 known aggregator molecules 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.