tadhurst-cdd
tadhurst-cdd
#### Reference Issue Enhanced Stereochemistry canonicalization errors #### What does this implement/fix? Explain your changes. Many compounds can be formulated as smiles with different enhanced stereochemistry specification but are actually...
#### Reference Issue Atropisomers with aromatic rings on one or both sides can give errors when the wedge bond is in the aromatic ring. This happens when the atom on...
#### Reference Issue Trimethylcyclohexane gave incorrect results from canonicalizeStereoGroups. #### What does this implement/fix? Explain your changes. The call to rank the atoms for two of the possible expansions in...