getCD: getCD
In ChristianAmes/FastRet: Retention time prediction and subset selection with a GUI
getCD R Documentation
getCD
Description
Calculate Chemical Descriptors using RCDK, function is based on Retip::getCD.
Usage
getCD(x, verbose = FALSE)
Arguments
x
dataframe with two mandatory column: "Name" and "SMILES"
verbose
TRUE if additional print output should be shown
ChristianAmes/FastRet documentation built on June 17, 2022, 6 a.m.
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| getCD | R Documentation |
getCD
Description
Calculate Chemical Descriptors using RCDK, function is based on Retip::getCD.
Usage
getCD(x, verbose = FALSE)
Arguments
x |
dataframe with two mandatory column: "Name" and "SMILES" |
verbose |
TRUE if additional print output should be shown |
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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