Dear Thomas,
On Sat, Oct 8, 2016 at 12:07 PM, Thomas Douillard < thomas.douillard@gmail.com> wrote:
Probably a silly question but ... did you all consider creating a datatype for molecue representation ? This seem to be a very similar usecase than mathematica formula. Essentially we're not dealing with a raw string but a representation of molecule formulas, with its own encoding ...
The InChI is actually not a structural representation, but a derived unique identifier.
What you propose would, however, apply to the SMILES. That one is generally of about the same size as the InChI, and there your solution sounds like a great idea!
Egon
Changing the limit seem to be a poor workaround to a dedicated datatype - nobody seems to have found a relevant usecase and it seem to me that we're essentially abusing strings for storing blobs ...
2016-10-08 11:33 GMT+02:00 Egon Willighagen egon.willighagen@gmail.com:
On Sat, Oct 8, 2016 at 11:28 AM, Lydia Pintscher < lydia.pintscher@wikimedia.de> wrote:
On Sat, Oct 8, 2016 at 11:23 AM, Egon Willighagen egon.willighagen@gmail.com wrote:
Ah, those numbers are for https://www.wikidata.org/wiki/Property:P234
...
External identifier then. Cool. And for string like in https://www.wikidata.org/wiki/Property:P233? Sebastian's initial email
says 1500 to 2000. Is this still a good number after this discussion?
Yes, that would cover more than 99.9% of all InChIs in PubChem. (See Sebastian's reply earlier in this thread.)
Egon
-- E.L. Willighagen Department of Bioinformatics - BiGCaT Maastricht University (http://www.bigcat.unimaas.nl/) Homepage: http://egonw.github.com/ LinkedIn: http://se.linkedin.com/in/egonw Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ORCID: 0000-0001-7542-0286 ImpactStory: https://impactstory.org/u/egonwillighagen
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