getMolFromChEMBL: Retrieve Drug Molecules in MOL Format from the ChEMBL...
In Rcpi: Molecular Informatics Toolkit for Compound-Protein Interaction in Drug Discovery
Description
Usage
Arguments
Details
Value
Author(s)
See Also
Examples
Description
Retrieve Drug Molecules in MOL Format from the ChEMBL Database
Usage
1
getMolFromChEMBL(id, parallel = 5)
Arguments
id
A character vector, as the ChEMBL drug ID.
parallel
An integer, the parallel parameter, indicates how many
process the user would like to use for
retrieving the data (using RCurl), default is 5.
For regular cases, we recommend a number less than 20.
Details
This function retrieves drug molecules in MOL format from the
ChEMBL database.
Value
A length of id character vector,
each element containing the corresponding drug molecule.
Author(s)
Nan Xiao <https://nanx.me>
See Also
See getSmiFromChEMBL for retrieving drug molecules
in SMILES format from the ChEMBL database.
Examples
1
2
3
id = 'CHEMBL1430' # Penicillamine
getMolFromChEMBL(id)
Example output
[1] ""
Rcpi documentation built on Nov. 8, 2020, 8:23 p.m.
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Description Usage Arguments Details Value Author(s) See Also Examples
Description
Retrieve Drug Molecules in MOL Format from the ChEMBL Database
Usage
1 | getMolFromChEMBL(id, parallel = 5)
|
Arguments
id |
A character vector, as the ChEMBL drug ID. |
parallel |
An integer, the parallel parameter, indicates how many
process the user would like to use for
retrieving the data (using RCurl), default is |
Details
This function retrieves drug molecules in MOL format from the ChEMBL database.
Value
A length of id character vector,
each element containing the corresponding drug molecule.
Author(s)
Nan Xiao <https://nanx.me>
See Also
See getSmiFromChEMBL for retrieving drug molecules
in SMILES format from the ChEMBL database.
Examples
1 2 3 | id = 'CHEMBL1430' # Penicillamine
getMolFromChEMBL(id)
|
Example output
[1] ""
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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