murcko

There are 0 repository under murcko topic.

• ScaffoldGraph

  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.

  rdkitnetworkxscaffold-networksscaffold-treescheminformaticsmurckofragmentsmoleculesscaffoldshierschemistrycomputational-chemistry
  Language:Python 186

• nbehrnd / datawarrior_saturate_Murcko_scaffolds

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

  pythonsimilaritymurckoopenbabeldatawarriorsubstructurescaffold
  Language:Python 2