Man pages for PaoloBnn/Retip
Retention Time Prediction for Metabolomics
| addRT.mona | Add Retention Time to a mona.msp |
| cesc | Build a model to center and scale dataframe |
| chem.space | Extract information from msp file downloaded from MoNA |
| fit.automl.h2o | Build autoML Model |
| fit.brnn | Build Bayesian Regularized Neural Network Model |
| fit.keras | Build Keras model |
| fit.lightgbm | Build LightGBM model |
| fit.rf | Build Random Forest model |
| fit.xgboost | Build XGboost Model |
| getCD | Calculate Chemical Descriptors using RCDK |
| getRT.smile | Calculate the Retention Time from a smiles entry |
| get.score | Calculate score from each model to testing dataset. You can... |
| HILIC | FiehnHilic positive dataset. |
| p.model | Plot Model |
| p.model.features | Plot Feature Importance |
| prep.mona | Extract information from msp file downloaded from MoNA |
| prep.wizard | Start parallel computing |
| proc.data | Clean dataset removing NA value and Near zero variance... |
| RT.export | Export RT to external Mass Spectrometry Software |
| RT.spell | Predict Retention Time |
