Skip to content

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

2 Commits
 
 
 
 
 
 
 
 
 
 

Repository files navigation

brics-fragmentation

This notebook fragments molecules using BRICSDecompose module from RDKit. It requires an input CSV files containing a list SMILES strings and their IDs. The script is fully editable and you also have the possibility to visualize the fragments obtained from a given input molecule. Documentation available on https://www.rdkit.org/docs/index.html.

About

This notebook fragments molecules using BRICSDecompose module from RDKit. It requires an input CSV files containing a list SMILES strings and their IDs. The script is fully editable and you also have the possibility to visualize the fragments obtained from a given input molecule. Documentation available on https://www.rdkit.org/docs/index.html.

Resources

Stars

0 stars

Watchers

0 watching

Forks

Releases

Packages

Contributors

Languages