Untargeted LC-MS data annotation

adducts-funs | Functions to assist adducts and fragments selection |

CpdaddPreparation | Function to compute a compound to adduct matrix |

diffusion-funs | Functions to apply diffusion in graphs |

Fella | Fella graph for diffusion prioritization |

filtering-funs | Functions to apply cluster-based filtering |

fitness | optimization function |

fitness.eps | optimization function |

graph.Rclass | RClass graph for diffusion prioritization |

graph.Rclass.2levels | RClass (compounds-reactions) graph for diffusion... |

Info.Add | Data frame with adducts/fragments knowledge |

KeggDB | KEGG database |

matching-funs | Functions to match a peak-intensity table to KEGG database |

mWISE.annotation | Function to perform the complete annotation pipeline of mWISE |

performanceEvaluation | Function to evaluate mWISE performance |

sample.dataset | Sample dataset |

sample.graph | Example graph from FELLA |

sample.keggDB | sample KEGG database |

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