murcko

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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 Mar 27, 2024
Python

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