Pixelatory commited on
Commit
84e2d6c
1 Parent(s): e019340

Update README.md

Browse files
Files changed (1) hide show
  1. README.md +3 -0
README.md CHANGED
@@ -18,5 +18,8 @@ Used this filtering criteria in the ZINC-20 tranches:
18
  - Annotated purchasability
19
  - Drug-like subset
20
 
 
 
 
21
  ![Distribution of Sequence Lengths](sequence_lengths_distribution.png)
22
  ![Top 15 SMILES Tokens and Their Frequencies](top_smiles_tokens.png)
 
18
  - Annotated purchasability
19
  - Drug-like subset
20
 
21
+ Distribution of tokenized SMILES sequence lengths below, along with the top 15 SMILES tokens (with their frequencies). The following regex string was used
22
+ to split the SMILES molecule into tokens: (\[[^\]]+]|Br?|Cl?|N|O|S|P|F|I|b|c|n|o|s|p|\(|\)|\.|=|#|-|\+|\\|\/|:|~|@|\?|>>?|\*|\$|\%[0-9]{2}|[0-9])
23
+
24
  ![Distribution of Sequence Lengths](sequence_lengths_distribution.png)
25
  ![Top 15 SMILES Tokens and Their Frequencies](top_smiles_tokens.png)