Comments (2)
It does not look like CTS supports smiles as a to
translation option.
library(CTSgetR)
want<-'sm'
possible_to<-unlist(valid_to())
possible_to[grepl(want,possible_to,ignore.case=TRUE)]
You can try one of these options:
webchem::get_csid #https://docs.ropensci.org/webchem/reference/get_csid.html
rcdkTools::inchi2smiles #https://rdrr.io/github/bachi55/rcdkTools/man/inchi2smiles.html - requires installing open babel
from ctsgetr.
Looks like this is now supported. You can see all up to date options.
> library(CTSgetR)
> want<-'sm'
> possible_to<-unlist(valid_to(update=TRUE))
> possible_to[grepl(want,possible_to,ignore.case=TRUE)]
#[1] "SMILES"
#[2] "SMID"
#[3] "GlaxoSmithKline (GSK)"
#[4] "MLSMR"
#[5] "ORST SMALL MOLECULE SCREENING CENTER"
I updated master
to get the list as of today for the default call you showed.
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Related Issues (6)
- Broken? HOT 2
- CTSgetR() does not return the scores HOT 1
- Error in to %in% valid_to() : argument "to" is missing, with no default HOT 1
- errors HOT 1
- Error in `map()`: ℹ In index: 1. Caused by error in `map()`: ℹ In index: 1. Caused by error in `x$searchTerm`: ! $ operator is invalid for atomic vectors Run `rlang::last_trace()` to see where the error occurred. HOT 2
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