The compopund table can assume a single record for each chemical compound, with immutable attributes (e.g. foreign identifier systems such as CAS.
Action:
Enumerate which current fields are attributes of a compund and condense them into a single table. Fields may include:
IUPAC name
SMILES
InChI
CAS number
chemical formula
i.e. anything that can be looked up in Wikidata. These should only be included if (a) they are used as the identifer in the scientific literature (b) are commonly used for searching. (But for searching it may be useful to have subsidiary tables generated by Wikidata).
The compopund table can assume a single record for each chemical compound, with immutable attributes (e.g. foreign identifier systems such as CAS.
Action: Enumerate which current fields are attributes of a compund and condense them into a single table. Fields may include:
i.e. anything that can be looked up in Wikidata. These should only be included if (a) they are used as the identifer in the scientific literature (b) are commonly used for searching. (But for searching it may be useful to have subsidiary tables generated by Wikidata).