See
https://groups.google.com/forum/#!topic/indigo-bugs/T3_KERMGYho
For molecular structures with more than 5 components the procedure shows poor performance. Initial solution might be to calculate canonical smiles for each component and sort alphabetical order the array of smiles.
See https://groups.google.com/forum/#!topic/indigo-bugs/T3_KERMGYho For molecular structures with more than 5 components the procedure shows poor performance. Initial solution might be to calculate canonical smiles for each component and sort alphabetical order the array of smiles.