Allowed Value | Details |
---|---|
INCHI | InChi descriptor |
INCHI_CHARGE | InChi descriptor- charge layer |
INCHI_FIXEDH | InChi descriptor- fixed hydrogren layer |
INCHI_ISOTOPE | InChi descriptor- isotopic layer |
INCHI_MAIN | InChi descriptor- main layer |
INCHI_MAIN_CONNECT | InChi descriptor- main layer - atom connection sub-layer |
INCHI_MAIN_FORMULA | InChi descriptor- main layer - chemical formula sub-layer |
INCHI_MAIN_HATOM | InChi descriptor- main layer - hydrogen atom sub-layer |
INCHI_RECONNECT | InChi descriptor- reconnected layer |
INCHI_STEREO | InChi descriptor- stereochemical layer |
SMILES | SMILES descriptor |
SMILES_CANONICAL | Canonical SMILES descriptor |
SMILES_ISOMERIC | Isomeric SMILES descriptor |
Allowed Value | Details |
---|---|
INCHI | InChi descriptor |
INCHI_CHARGE | InChi descriptor- charge layer |
INCHI_FIXEDH | InChi descriptor- fixed hydrogren layer |
INCHI_ISOTOPE | InChi descriptor- isotopic layer |
INCHI_MAIN | InChi descriptor- main layer |
INCHI_MAIN_CONNECT | InChi descriptor- main layer - atom connection sub-layer |
INCHI_MAIN_FORMULA | InChi descriptor- main layer - chemical formula sub-layer |
INCHI_MAIN_HATOM | InChi descriptor- main layer - hydrogen atom sub-layer |
INCHI_RECONNECT | InChi descriptor- reconnected layer |
INCHI_STEREO | InChi descriptor- stereochemical layer |
SMILES | SMILES descriptor |
SMILES_CANONICAL | Canonical SMILES descriptor |
SMILES_ISOMERIC | Isomeric SMILES descriptor |