webchem

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get_csid() always returning error "Service not available. Returning NA."

8

Hi. I'm having a permanent "Service not available. Returning NA." error result when using get_csid(). I was trying with a list of substances but found the issue remains even if...

CesarIsguerra

Chembl

2

https://www.ebi.ac.uk/chembl/api/data/docs https://www.ebi.ac.uk/chembl/ws

eduardszoecs

pc_sect() fails when requesting cas for cid 132971

2

I found an example where `pc_sect()` fails unexpectedly. ``` r webchem::pc_sect(132971, "cas") #> Error in if (is.character(txt) && length(txt) == 1 && nchar(txt, type = "bytes") < : missing value...

stitam

Functions for accessing a new database - ChEMBL

3

This PR adds new functionality for accessing the ChEMBL database (https://www.ebi.ac.uk/chembl/). The database developers created an API for retrieving the data (https://chembl.gitbook.io/chembl-interface-documentation/web-services), which I think evaluates to explicit consent to...

stitam

Update use cases

1

Might be good to add some more recent use cases to the README. E.g.: https://doi.org/10.1080/08958378.2022.2051646

Aariq

ECHA

12

e.g. http://apps.echa.europa.eu/registered/data/dossiers/DISS-9daa7594-c409-0ed0-e044-00144f67d249/DISS-9daa7594-c409-0ed0-e044-00144f67d249_DISS-9daa7594-c409-0ed0-e044-00144f67d249.html

eduardszoecs

Check for possible edge case in `bcpc_query()`

2

@jranke fixed the way `bcpc_query()` parses activities and sub-activities in #348, #349 (thank you!). I think the fix relies on their always being one sub-activity for every activity, so we...

Aariq

We should add a DOI badge to the README that links to the webchem paper

Aariq

Translating CID into common name report bad request?

3

For example, we want to translate 5564 into Triclosan With code like that cts_convert("5564", from = "pubchem cid", to="Chemical Name") I find it return NA and show a massage of...

wanglu2014

improve bcpc_query()

1

`aw_query()` currently returns a list of lists of vectors, when it finds a match and a vector `NA` of length 1, if it doesn't. In my opinion this is quite...

andschar