Copyright©2008 Antony Williams
Chemical names generated by chemists can suffer from quality issues. Systematic nomenclature is not easy and software can definitely help…read this paper for example. If systematic names are not correct then either name to structure conversion algorithms or dictionary look-ups may fail. As we work to provide document markup capability and linkage to chemical structures contained within chemistry documents we need to account for these issues with naming.
As an example, see this online publication where even the same name is inconsistent. See below…
AN_interface is now available to edit the name “under the text” and therefore allow it to be converted OR to link it directly to a chemical on ChemSpider. In this way we are not adulterating the original text but now an “incorrect name” or name that is not associated with a structure for display is now available.
The input is easy…click edit in the structure balloon and then either edit the name or link to a CSID. Also, through this dialog you can declare it as a primary compound, secondary or catalyst. We can of course change this/add to this to be reactant, product, solvent etc.
Following the association/correction in this way the CORRECTed name shows up in the Balloon and the resulting structure is shown (and matches what’s in the article). One more step to optimal document markup.Stumble it!