Update README.md

README.md

@@ -53,4 +53,20 @@ configs:
   data_files:
   - split: queries
     path: queries/queries-*
+license: cc-by-nc-sa-4.0
+task_categories:
+- text-classification
+language:
+- en
+tags:
+- chemistry
+- coconutdb
+- chemteb
+pretty_name: Coconut Retrieval
+size_categories:
+- 100K<n<1M
 ---
+# CoconutDB Molecular Formula to SMILES Retrieval
+
+This retrieval dataset contains pairs of molecular formulas and their corresponding SMILES strings (both isomeric and canonical), with the molecular formulas serving as queries and the SMILES strings as documents. The dataset is sourced from [CoconutDB](https://coconut.naturalproducts.net/) and is designed to facilitate retrieval tasks where the goal is to find the correct SMILES string(s) given a molecular formula. This dataset provides valuable information for tasks involving chemical entity retrieval and molecular formula analysis, supporting research in cheminformatics, natural language processing (NLP), and the development of specialized information retrieval systems in the field of chemistry.
+