For a reactant>>product smiles/smarts string that can be cast into RXN form, is there a check that can be applied to identify incorrect AAM's before feeding it to indigo nodes? e.g. check no of total atoms+H atoms + heavy atoms or some such combo?
For a reactant>>product smiles/smarts string that can be cast into RXN form, is there a check that can be applied to identify incorrect AAM's before feeding it to indigo nodes? e.g. check no of total atoms+H atoms + heavy atoms or some such combo?