Re: [Rdkit-discuss] Some compounds don't match themselves after converting to isomeric SMILES and back?

Hi Tyler, This one is "non-trivial". It's going to take me a while to look though it and figure out what's going on. -greg On Fri, Jun 8, 2018 at 12:02 AM Tyler Backman wrote: > If I convert some compounds to SMILES and back, sometimes they no > longer match themselves with MCS if

[Rdkit-discuss] Some compounds don't match themselves after converting to isomeric SMILES and back?

If I convert some compounds to SMILES and back, sometimes they no longer match themselves with MCS if matchChiralTag=True, however the actual number of each type of chiral tag is still the same per Chem.FindMolChiralCenters(). Am I doing something wrong here? This example uses the rapamycin