Update README.md

README.md

@@ -18,12 +18,40 @@ size_categories:
 dataset_info:
   - config_name: B3DB_classification
     features:
-      - name: {feature_name_0}    # Example: id
-        dtype: {feature_dtype_0}  # Example: int32
-      - name: {feature_name_1}    # Example: text
-        dtype: {feature_dtype_1}  # Example: string
-      - name: {feature_name_2}    # Example: image
-        dtype: {feature_dtype_2}  # Example: image
+      - name: {"NO."}             
+        dtype: int64            
+      - name: {"compound_name"}   
+        dtype: object  
+      - name: {"IUPAC_name"}       
+        dtype: object 
+      - name: {"SMILES"}            
+        dtype: object            
+      - name: {"CID"}   
+        dtype: float64  
+      - name: {"logBB"}       
+        dtype: float64 
+      - name: {"BBB+/BBB-"}            
+        dtype: object            
+      - name: {"Inchi"}   
+        dtype: object 
+      - name: {"threshold"}       
+        dtype: float64
+      - name: {"reference"}       
+        dtype: object
+      - name: {"group"}            
+        dtype: object            
+      - name: {"comments"}   
+        dtype: object 
+      - name: {"ClusterNo"}       
+        dtype: int64
+    splits:
+      - name: B3DB_classification_train
+        num_bytes: 656000
+        num_examples: 5856
+      - name: B3DB_classification_test
+        num_bytes: 218640
+        num_examples: 1951
+        
   - config_name: B3DB_classification_extended
     features:
       - name: {feature_name_0}    # Example: id