describe | R Documentation |
get compound formula and structure from https://cactus.nci.nih.gov/chemical/structure
describe(chem, representation = "formula", info = FALSE)
chem, |
chemical name of the compound |
representation, |
representation methods, formula is default |
info, |
extra molecular information that users can query |
Yonghui Dong
## Not run: describe('malic acid', "formula") describe(c('malic acid', 'citric acid', 'tartaric acid'), "smiles") ## End(Not run)
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