Retention Time Prediction in Liquid Chromatography


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Documentation for package ‘FastRet’ version 1.1.3

Help Pages

adjust_frm Adjust an existing FastRet model for use with a new column
fastret_app The FastRet GUI
getCDs Get Chemical Descriptors for a list of molecules
predict.frm Predict retention times using a FastRet Model
preprocess_data Preprocess data
read_retip_hilic_data Download and read the HILIC dataset from Retip the package
read_rpadj_xlsx Hypothetical retention times (RT) measured on a reverse phase (RP) column
read_rp_lasso_model_rds LASSO Model trained on RP dataset
read_rp_xlsx Read retention times (RT) measured on a reverse phase (RP) column
RP Retention Times (RT) Measured on a Reverse Phase (RP) Column
selective_measuring Selective Measuring
start_gui Start the FastRet GUI
train_frm Train a new FastRet model (FRM) for retention time prediction