Default Chemical Data
We have certain compounds that have more than one chemical data records. Need to identify which chemical data should be selected as default?
We can generate chemical information from default structure but curators should have the ability to add chemical data if required. Also this won't work for all of the cases because most of the chemical data is calculated from structure. But there are entries in ChEBI where we need to calculate the chemical data from the formula (can't do this for R-Groups either). There will also be entries in the database that don;t have any structure but its chemical data is known. Some compounds do not have a default structure (or default structure is deleted). How do we find chemical data for these?
Secondly, if we are not generating chemical data from default structure, then how do we pick default chemical data if a compound has more than one records of it?
Creating this ticket for reference as we need to discuss this and take a decision @efelix @amalik @muhammad @carlosm