View source: R/3.7_read_metabolon.R
add_smiles | R Documentation |
Add smiles
add_smiles(object)
object |
character/factor vector with pubchem ids |
character/factor vector
https://pubchemdocs.ncbi.nlm.nih.gov/pug-rest-tutorial
file <- system.file('extdata/atkin.metabolon.xlsx', package = 'autonomics')
object <- read_metabolon(file)
# add_smiles(object[1:10, ]) # seems down
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