murcko

Here are 2 public repositories matching this topic...

UCLCheminformatics / ScaffoldGraph

ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold networks and scaffold trees.

fragments chemistry cheminformatics networkx computational-chemistry rdkit molecules scaffolds murcko scaffold-networks scaffold-trees hiers

Updated Jan 27, 2022
Python

nbehrnd / datawarrior_saturate_Murcko_scaffolds

Star

Artifical "saturation" of Bemis-Murcko scaffolds retrieved with DataWarrior.

python scaffold similarity openbabel substructure datawarrior murcko

Updated Nov 12, 2024
Python

Improve this page

Add a description, image, and links to the murcko topic page so that developers can more easily learn about it.

Curate this topic

Add this topic to your repo

To associate your repository with the murcko topic, visit your repo's landing page and select "manage topics."

Learn more

Provide feedback

Saved searches

Use saved searches to filter your results more quickly