Description Usage Arguments Details Examples
These functions allow one to retrieve compounds information from ChEMBL compounds are identified either by a ChEMBL ID or by a standard InChI key.
1 | get.cmp.inf(x, type = "chemblid")
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x |
: String representing chemblid or standard InCHI key for the molecule. |
type |
: For |
get.cmp.inf
1 2 3 4 5 | #get information for chembl compound id
get.compound("CHEMBL12")
#get information for standard inchi
get.compound("QFFGVLORLPOAEC-SNVBAGLBSA-N",type='stdinchi')
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