aggregatedIPdbListGenerator |
aggregatedIPdbListGenerator |
aligned_molecular_formula_annotator |
Aligned Molecular Formula Annotator |
detect_formula_sets |
Organic Class Detection by Repeated Unit Patterns |
element_sorter |
Element Sorter |
extendedSENIORrule |
extended SENIOR rule check |
formula_adduct_calculator |
Formula Adduct Calculator |
formula_vector_generator |
Molecular Formula Vector Generator |
hill_molecular_formula_printer |
Print Hill Molecular Formula |
identificationScoreCalculator |
Multiplicative Identification Score for the IDSL.UFA pipeline |
ionization_pathway_deconvoluter |
Ionization Pathway Deconvoluter |
isotopic_profile_calculator |
Isotopic Profile Calculator |
molecularFormula2IPdb |
Molecular Formula to IPDB |
molecular_formula_annotator |
Molecular Formula Annotator |
molecular_formula_elements_filter |
molecular_formula_elements_filter |
molecular_formula_library_generator |
Molecular Formula Database Producer |
molecular_formula_library_search |
Molecular Formula Library Search |
monoisotopicMassCalculator |
Monoisotopic Mass Calculator |
scoreCoefficientsEvaluation |
Score Coefficient Evaluation |
scoreCoefficientsOptimization |
Coefficients Score Optimization |
scoreCoefficientsReplicate |
Zero Score Function |
UFA_enumerated_chemical_space |
IPDBs from UFA Enumerated Chemical Space (ECS) approach |
UFA_enumerated_chemical_space_xlsxAnalyzer |
IPDBs from UFA Enumerated Chemical Space (ECS) xlsx Analyzer |
UFA_formula_source |
IPDB from a Molecular Formulas Source |
UFA_formula_source_xlsxAnalyzer |
UFA Formula Source xlsxAnalyzer |
UFA_IPdbMerger |
UFA IPDB Merger |
UFA_locate_regex |
UFA Locate regex |
UFA_PubChem_formula_extraction |
UFA PubChem Formula Extraction |
UFA_score_coefficients_corrector |
Score Coefficients Corrector for MolecularFormulaAnnotationTable |
UFA_score_function_optimization |
UFA Score Coefficient Workflow |
UFA_score_function_optimization_xlsxAnalyzer |
UFA Score Optimization xlsx Analyzer |
UFA_workflow |
UFA Workflow |
UFA_xlsxAnalyzer |
UFA xlsx Analyzer |