Open Super-dong94 opened 3 months ago
The issue was the url encoding, which is now fixed.
CTSgetR(id = "n-[2-(6-amino-9h-purin-9-yl)ethyl]-n-(2-furylmethyl)amine",
from = "Chemical Name",
to = "KEGG",
db_name ='ctsgetr.sqlite')
#returns
id KEGG
1 n-[2-(6-amino-9h-purin-9-yl)ethyl]-n-(2-furylmethyl)amine <NA>
Note the backend workflow is to first get the InChIKey and then translate to KEGG
CTSgetR(id = "n-[2-(6-amino-9h-purin-9-yl)ethyl]-n-(2-furylmethyl)amine",
from = "Chemical Name",
to = "InChIKey",
db_name ='ctsgetr.sqlite')
CTSgetR(id = 'OPXOUINPZODWMA-UHFFFAOYSA-N',
to = "KEGG",
from = "InChIKey",
db_name ='ctsgetr.sqlite')
id KEGG
1 OPXOUINPZODWMA-UHFFFAOYSA-N <NA>
There is no KEGG entry for this entity in CTS e.g.
curl 'cts.fiehnlab.ucdavis.edu/rest/score/Chemical%20Name/n-%5B2-%286-amino-9h-purin-9-yl%29ethyl%5D-n-%282-furylmethyl%29amine/biological'
#returns
{"searchTerm":"n-[2-(6-amino-9h-purin-9-yl)ethyl]-n-(2-furylmethyl)amine","from":"Chemical Name","result":[{"InChIKey":"OPXOUINPZODWMA-UHFFFAOYSA-N","score":0.0}]}
Thank you very much for your reply, I have updated CTSgetr. But there are still some errors.
CTSgetR(id = "sm 8:1;2o/32:0",
- from = "Chemical Name",
- to = "KEGG",
- db_name='ctsgetr.sqlite') Error in
map()
: ℹ In index: 1. Caused by error inmap()
: ℹ In index: 1. Caused by error inx$searchTerm
: ! $ operator is invalid for atomic vectors Runrlang::last_trace()
to see where the error occurred. Warning message: Factors converted to characterCTSgetR(id = "(+/-)12(13)-dihome",
- from = "Chemical Name",
- to = "KEGG",
- db_name='ctsgetr.sqlite') Error in
map()
: ℹ In index: 1. Caused by error inmap()
: ℹ In index: 1. Caused by error inx$searchTerm
: ! $ operator is invalid for atomic vectors Runrlang::last_trace()
to see where the error occurred. Warning message: Factors converted to character
CTSgetR(id = "n-[2-(6-amino-9h-purin-9-yl)ethyl]-n-(2-furylmethyl)amine", from = "Chemical Name", to = "KEGG", db_name ='ctsgetr.sqlite')
Error in
map()
: ℹ In index: 1. Caused by error inmap()
: ℹ In index: 1. Caused by error inx$searchTerm
: ! $ operator is invalid for atomic vectors Runrlang::last_trace()
to see where the error occurred. Warning messages: 1: Factors converted to character 2: Factors converted to character