MassBank / RMassBank

Playground for experiments on the official http://bioconductor.org/packages/devel/bioc/html/RMassBank.html
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Integration of US EPA API for data retrieval #350

Closed tsufz closed 1 year ago

tsufz commented 1 year ago

The US EPA API is back again. We should add a webinterface to retrieve DTXSID on the fly. However, requires a personal API key. I guess, for public institutions, it should be no problem to retrieve it.

tsufz commented 1 year ago
ChemConnector commented 1 year ago

Contact @. and he will Give you a keyOn Aug 14, 2023, at 11:35 PM, Tobias Schulze @.> wrote:

[ ] add basic API interface [ ] add retrieval by InChIKey [ ] if key failes, fall back to CAS [ ] add key entry to settings

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tsufz commented 1 year ago

@ChemConnector, I got a private key. I guess, this is not the purpose of a key to distribute it publicly? I will integrate the function in RMassBank. If the people do not provide a key in the settings, they could add the DTXSID using the batch search.

This is a difference to the validation during the record submission. In this case, we could amend missing DTXSID / rerun old records using an application key, which is kept safely in the Github vault. @meier-rene, what do you think about?

Cheers, Tobi

tsufz commented 1 year ago

Skip the CAS request so far. Let's check the performance and add it later (also name search).

tsufz commented 1 year ago

Solved in https://github.com/MassBank/RMassBank/pull/342/commits/cc4f10208e07fe876822d9ae211d32430fbd0900