Update README.md

README.md

@@ -18,4 +18,19 @@ configs:
   data_files:
   - split: test
     path: data/test-*
+task_categories:
+- text-classification
+language:
+- en
+tags:
+- chemistry
+- coconutdb
+- SMILES
+- chemteb
+pretty_name: CoconutDB SMILES to Formula Pair Classification
+size_categories:
+- 1M<n<10M
 ---
+# CoconutDB SMILES to Formula Pair Classification
+This dataset contains pairs of SMILES strings (both isomeric and canonical) and their corresponding molecular formulas, with labels indicating whether they refer to the same chemical entity. A label of 1 means the SMILES string and the molecular formula correspond to the same entity, while a label of 0 indicates they do not. The dataset is sourced from [CoconutDB](https://coconut.naturalproducts.net/) and provides valuable information for tasks involving chemical entity matching and molecular formula analysis.
+