lizard: add number of aromatic rings
UnixJunkie opened this issue · comments
probably related to LogP (i.e. coarse estimator of lipophilicity)
rdkit.Chem.Lipinski.NumAromaticRings(x, y=<Boost.Python.function object>)
done
UnixJunkie / molenc
MolEnc: a molecular encoder using rdkit and OCaml.