Update README.md

README.md

@@ -10,8 +10,11 @@ size_categories:
 - 10K<n<100K
 dataset_summary: >-
   AggregatorAdvisor identifies molecules that are known to aggregate or may aggregate in biochemical assays.
-  The approach is based on the chemical similarity to known aggregators, and physical properties.\
+  The approach is based on the chemical similarity to known aggregators, and physical properties.
   The train and test datasets were created after sanitizing and splitting the original dataset in the paper below.
+  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.
 citation: >-
   @article 
     {Irwin2015, title = {An Aggregation Advisor for Ligand Discovery},