Pixelatory
commited on
Commit
•
84e2d6c
1
Parent(s):
e019340
Update README.md
Browse files
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)
|