getMolFromPubChem: Retrieve Drug Molecules in MOL Format from the PubChem...
In nanxstats/Rcpi: Molecular Informatics Toolkit for Compound-Protein Interaction in Drug Discovery
getMolFromPubChem R Documentation
Retrieve Drug Molecules in MOL Format from the PubChem Database
Description
Retrieve Drug Molecules in MOL Format from the PubChem Database
Usage
getMolFromPubChem(id, parallel = 5)
Arguments
id
A character vector, as the PubChem drug ID.
parallel
An integer, the parallel parameter, indicates how many
processes 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
PubChem database.
Value
A length of id character vector,
each element containing the corresponding drug molecule.
See Also
See getSmiFromPubChem for retrieving drug molecules
in SMILES format from the PubChem database.
Examples
id = c('7847562', '7847563') # Penicillamine
getMolFromPubChem(id)
nanxstats/Rcpi documentation built on Sept. 24, 2024, 9:36 a.m.
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| getMolFromPubChem | R Documentation |
Retrieve Drug Molecules in MOL Format from the PubChem Database
Description
Retrieve Drug Molecules in MOL Format from the PubChem Database
Usage
getMolFromPubChem(id, parallel = 5)
Arguments
id |
A character vector, as the PubChem drug ID. |
parallel |
An integer, the parallel parameter, indicates how many
processes 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 PubChem database.
Value
A length of id character vector,
each element containing the corresponding drug molecule.
See Also
See getSmiFromPubChem for retrieving drug molecules
in SMILES format from the PubChem database.
Examples
id = c('7847562', '7847563') # Penicillamine
getMolFromPubChem(id)
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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