A very interesting blogpost on algorithms for substructure and similarity search of very large chemical libraries in synthon form rather than enumerated form. #RDKit #ChemSky #DrugDiscovery
Reposted from Greg Landrum
There's a new #RDKit blog post introducing some new functionality that I'm really excited about: doing efficient substructure and similarity searches in very large chemical libraries:
greglandrum.github.io/rdkit-blog/p...
#ChemSky

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