GetPubchemPro: Get properties of drugs
In DrugComb/TidyComb: Preparing drug combination data for DrugComb
GetPubchemPro R Documentation
Get properties of drugs
Description
GetPubchemPro function retrieves the properties (InChIKey, Canonical
SMILES, and molecula formula) of drugs from PubChem database via
PUG REST,
accordint to CIDs.
Usage
GetPubchemPro(cids)
Arguments
cids
A vector of integer or character indicates the CIDs of drugs.
Value
A data frame contains 4 columns:
-
CID CID of drugs which is inputted to cids argument.
-
InChIKey Standard InChIKey of matched drugs.
-
CanonicalSMILES Standard Canonical SMILES of matched drugs.
-
MolecularFormula Molecular formula for matched drugs.
Author(s)
Jing Tang jing.tang@helsinki.fi
Shuyu Zheng shuyu.zheng@helsinki.fi
Examples
property <- GetPubchemPro(c(1,2,3,4))
DrugComb/TidyComb documentation built on June 22, 2022, 2:49 a.m.
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| GetPubchemPro | R Documentation |
Get properties of drugs
Description
GetPubchemPro function retrieves the properties (InChIKey, Canonical
SMILES, and molecula formula) of drugs from PubChem database via
PUG REST,
accordint to CIDs.
Usage
GetPubchemPro(cids)
Arguments
cids |
A vector of integer or character indicates the CIDs of drugs. |
Value
A data frame contains 4 columns:
-
CID CID of drugs which is inputted to
cidsargument. -
InChIKey Standard InChIKey of matched drugs.
-
CanonicalSMILES Standard Canonical SMILES of matched drugs.
-
MolecularFormula Molecular formula for matched drugs.
Author(s)
Jing Tang jing.tang@helsinki.fi Shuyu Zheng shuyu.zheng@helsinki.fi
Examples
property <- GetPubchemPro(c(1,2,3,4))
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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