| rt.predict | R Documentation |
Predict retention time from a given training set, and a matrix of compound descriptors.
rt.predict(testSet, predSet, descData = NULL,
descList = NULL, columnPar = NULL, voidTime = NULL)
testSet |
is a training set provided by user. |
predSet |
is a set of candidate compound to have their times predicted. |
descData |
is the user provided list of matrices of compound descriptors. |
descList |
is the optional user provided list of descriptors name calculated by rcdk package. |
columnPar |
is the optional user provided list of column parameters. |
voidTime |
column "dead" time. |
A list of prediction parameters.