webSDF: Import sdf string from an online source
In gindeanikita/Chem: Basic Cheminformatics utilities
webSDF R Documentation
Import sdf string from an online source
Description
The function imports sdf file information from online databases
like PubChem and ChemSpider.
NOTE: for the moment it only works for PubChem.
Usage
webSDF(query, origin)
Arguments
query
Introduce the name of the molecule or other string that can be
used to identify chemical structures in online databases.
origin
The source where sdf string is exported from (e.g. "pubchem",
"chemspider"...).
Details
The function needs a internet connection in order to search the chemical
structure.
Also needs access to ChemmineR package from BioConductor.
Examples
SDFset <- webSDF("methotrexate", "pubchem")
gindeanikita/Chem documentation built on May 1, 2022, 5:20 p.m.
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| webSDF | R Documentation |
Import sdf string from an online source
Description
The function imports sdf file information from online databases like PubChem and ChemSpider.
NOTE: for the moment it only works for PubChem.
Usage
webSDF(query, origin)
Arguments
query |
Introduce the name of the molecule or other string that can be used to identify chemical structures in online databases. |
origin |
The source where sdf string is exported from (e.g. "pubchem", "chemspider"...). |
Details
The function needs a internet connection in order to search the chemical structure. Also needs access to ChemmineR package from BioConductor.
Examples
SDFset <- webSDF("methotrexate", "pubchem")
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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