Retention Time Prediction in Liquid Chromatography
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Documentation for package ‘FastRet’ version 1.3.0
Help Pages
| adjust_frm | Adjust an existing FastRet model for use with a new column |
| clip_predictions | Clip predictions to observed range |
| fastret_app | The FastRet GUI |
| getCDs | Get Chemical Descriptors for a list of molecules |
| plot_frm | Plot predictions for a FastRet model |
| predict.frm | Predict retention times using a FastRet Model |
| preprocess_data | Preprocess data |
| read_retip_hilic_data | Read the HILIC dataset from the Retip package |
| read_rpadj_xlsx | Hypothetical retention times |
| 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 |