hsila commited on
Commit
603f8e2
1 Parent(s): 891aa8c

Update README.md

Browse files
Files changed (1) hide show
  1. README.md +13 -0
README.md CHANGED
@@ -16,4 +16,17 @@ configs:
16
  data_files:
17
  - split: test
18
  path: data/test-*
 
 
 
 
 
 
 
 
 
 
 
19
  ---
 
 
 
16
  data_files:
17
  - split: test
18
  path: data/test-*
19
+ license: cc-by-nc-sa-4.0
20
+ language:
21
+ - en
22
+ tags:
23
+ - chemistry
24
+ - coconutdb
25
+ - SMILES
26
+ - chemteb
27
+ pretty_name: CoconutDB SMILES to Formula Bitext Mining
28
+ size_categories:
29
+ - 100K<n<1M
30
  ---
31
+ # CoconutDB SMILES to Formula Bitext Mining
32
+ This dataset consists of two lists: one containing both isomeric and canonical SMILES strings, and the other containing the corresponding molecular formulas of chemical entities, sourced from [CoconutDB](https://coconut.naturalproducts.net/). The primary task is to identify matching pairs between the SMILES strings and their molecular formulas. Each SMILES string from the first list should be accurately aligned with its corresponding molecular formula from the second list.