Reputation: 15
I'm using a package called chemminR to look for molecules that are similar to each other in structure. I have been able to run this code with success for some of the values I am inputting, but for others it fails.
When I run
pubchemSmilesSearch("CN1CCC[C@H]1c1cccnc1")
I get:
Error in readLines(suppressWarnings(url(url))) :
cannot open the connection to 'https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/fastsimilarity_2d/smiles/CN1CCC[C@H]1c1cccnc1/SDF'
In addition: Warning message:
In readLines(suppressWarnings(url(url))) :
cannot open URL 'https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/fastsimilarity_2d/smiles/CN1CCC[C@H]1c1cccnc1/SDF': HTTP status was '504 Gateway Timeout'
When I run
m <- pubchemSmilesSearch("CC[C@H]1C[C@H]2CN3Cn4c(c(COC)c5ccc(OC)cc54)[C@](C(=O)OC)(C2)[C@H]13")
sdfid(m)
I get the correct output from the website of:
"118711168" "146165483"
Does anyone know what is wrong with readLines in this case?
Upvotes: 0
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