/tools/ScaffoldGraph
ScaffoldGraph
UCLCheminformatics/ScaffoldGraph
summary
ScaffoldGraph is an open-source cheminformatics library that utilizes RDKit and NetworkX to generate and analyze scaffold networks and trees. It allows users to explore scaffold-space by generating sub-scaffolds from input molecules, making it a valuable tool for molecular design and analysis.
description
ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold networks and scaffold trees.
topics
rdkitnetworkxscaffold-networksscaffold-treescheminformaticsmurckofragmentsmoleculesscaffoldshierschemistrycomputational-chemistry
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