Open jchodera opened 6 years ago
@bmanubay @mrshirts : We really need to get a unique molecule identifier like canonical isomeric SMILES to be added to the ThermoML Archive. Would you be able to engage Ken Kroenlein about this?
@bmanubay @mrshirts : We really need to get a unique molecule identifier like canonical isomeric SMILES to be added to the ThermoML Archive. Would you be able to engage Ken Kroenlein about this?