This data item contains the descriptor value for this component.
This data item contains the name of the program or library used to compute the descriptor.
Examples: OPENEYE, CACTVS, DAYLIGHT, OTHER
This data item contains the version of the program or library used to compute the descriptor.
This data item contains the descriptor type.
Allowable values: InChI, InChIKey, InChI_CHARGE, InChI_FIXEDH, InChI_ISOTOPE, InChI_MAIN, InChI_MAIN_CONNECT, InChI_MAIN_FORMULA, InChI_MAIN_HATOM, InChI_RECONNECT, InChI_STEREO, SMILES, SMILES_CANNONICAL, SMILES_CANONICAL
Generated using TypeDoc
This data item is a pointer to _chem_comp.id in the CHEM_COMP category.