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ropensci / webchem

Chemical Information from the Web
https://docs.ropensci.org/webchem
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StoffIdent #116

Open eduardszoecs opened 8 years ago

eduardszoecs commented 8 years ago

https://nightly.for-ident.org/api.html#_endpoint_overview

toplac commented 8 years ago

Hello,

FYI we just released the first public and stable version of FOR-IDENT which can be found at https://water.for-ident.org/

The API docs can be found at https://water.for-ident.org/api.html#_endpoint_overview

eduardszoecs commented 8 years ago

Thanks @knacht for the information and the work you've done with STOFF-Ident and the API. As soon as I find the time (not before August) I will implement an interface here.

Aariq commented 4 years ago

  1. Feasibility. There is an API, although the link above doesn't work for me.

  2. Scope. Data on organic compounds detectable by LC-MS that in environmental water samples (STOFF-IDENT) and in plants (PLANT-IDENT). Data includes physical and chemical properties, synonyms, and identifiers.

  3. Overlap. Chemical data is aggregated from other databases including some that webchem already can access. The unique thing about this database is the ability to search by monoisotopic mass, logP, and presence of halogens, which aids identification of compounds from non-targeted LC-MS.