Tamás Stirling

Results 68 comments of Tamás Stirling

Thank you @Sukis123 for opening this issue! This is strange, I couldn't reproduce your error. 2-Ethyl-5,5-dimethyl-1,3-dioxolane: ``` get_cid("RQZCPFBTIRWPRT-UHFFFAOYSA-N", from = "inchikey") Querying RQZCPFBTIRWPRT-UHFFFAOYSA-N. OK (HTTP 200). # A tibble: 1...

I hope I'm now using the most recent version of the function.. Is this an example for the situation you mentioned @Aariq? ``` r webchem::bcpc_query("silica gel")[[1]][c("activity", "subactivity")] #> $activity #>...

"There are other search features for foods and food ingredients that are outside of the scope of webchem." I am not sure those are outside of scope.

Hi @pstahlhofen, thanks for raising this issue. 1. `cts_convert()` should be able to convert cas to smiles, yet id doesn't and other examples seem to be failing as well, will...

Thanks @Aariq, that is correct, CTS REST API is not yet implemented in webchem. I contacted them last time the service was down, I'll contact them again, ask about their...

Hi All, Update on this issue: the service is back online, but queries are still not working as they used to. This one works: ``` r webchem::cts_convert("3380-34-5", "cas", "inchikey") #>...

I might ask for some help there, if I run `covr::package_coverage()` from the dev directory, I get 0% for everything, I am clearly missing something. On the other hand, ChemSpider...

Thanks @maelle, I have updated the config file and set up a GitHub Action to `check_pkgdown()`.

Love them! They show that webchem is a data retrieval package and the package is about chemicals. I prefer the one the right. Thanks @PythonCoderUnicorn!

Hi @pamonian, webchem only provides programmatic access to publicly available chemical data sources, I am definitely not qualified to give you legal advice on how you can use the data....