Hi,
I would like to run a cluster analysis (i.e. kmeans or Jarvis-Patrick) in a
small compound library. Is that possible with OpenBabel?
Best wishes,
Marcos Vinicius Santana
M.Sc
Farmacêutico
Universidade Federal Fluminense
Laboratório de Antibióticos, Bioquímica, Ensino e Modelagem Molecular
(LABiEMol)
Niterói, RJ - Brazil
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