Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Add DTXSIDs to all MassBank records with InChIKey match #66

Open
schymane opened this issue May 7, 2019 · 0 comments

Comments

Projects
None yet
1 participant
@schymane
Copy link
Member

commented May 7, 2019

@meier-rene @Treutler the EPA have set up a basic service that should allow retrieval of DTXSIDs by InChIKey, can you look into implementing this on the database end to add DTXSIDs to all records with matching entries for now, I will post a separate issue to get this into RMassBank and linked up in MassBank-web.
It's already in our Record format as
CH$LINK: COMPTOX DTXSID50274017
(https://github.com/MassBank/MassBank-web/blob/master/Documentation/MassBankRecordFormat.md)

https://actorws.epa.gov/actorws/chemIdentifier/v01/resolve?identifier=IKHGUXGNUITLKF-UHFFFAOYSA-N
https://actorws.epa.gov/actorws/chemIdentifier/v01/resolve.json?identifier=IKHGUXGNUITLKF-UHFFFAOYSA-N
https://actorws.epa.gov/actorws/chemIdentifier/v01/resolve.xml?identifier=IKHGUXGNUITLKF-UHFFFAOYSA-N

Any feedback re service to @ChemConnector

Thanks!

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
You can’t perform that action at this time.