map_chemdes: Map ChemDes
In jack-davison/chemdesr: Obtain Data from the ChemDes Platform
map_chemdes R Documentation
Map ChemDes
Description
This function is a wrapper around read_full_chemdes, allowing for a vector of SMILES strings to be mapped over. This function should take roughly 30 seconds per compound.
Usage
map_chemdes(smiles, chatty = T)
Arguments
smiles
A vector of simplified molecular-input line-entry system ("SMILES") strings.
chatty
TRUE/FALSE. If TRUE, will print messages to the console updating you of the stage of scraping.
Value
A "wide" tibble of chemical information, labelled with the SMILES string.
Author(s)
Jack Davison, jd1184@york.ac.uk
jack-davison/chemdesr documentation built on Sept. 24, 2022, 10:22 a.m.
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| map_chemdes | R Documentation |
Map ChemDes
Description
This function is a wrapper around read_full_chemdes, allowing for a vector of SMILES strings to be mapped over. This function should take roughly 30 seconds per compound.
Usage
map_chemdes(smiles, chatty = T)
Arguments
smiles |
A vector of simplified molecular-input line-entry system ("SMILES") strings. |
chatty |
TRUE/FALSE. If TRUE, will print messages to the console updating you of the stage of scraping. |
Value
A "wide" tibble of chemical information, labelled with the SMILES string.
Author(s)
Jack Davison, jd1184@york.ac.uk
R Package Documentation
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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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