Biocview "Metabolomics"

Accelerated similarity searching of small molecules
Accelerated similarity searching of small molecules
A flexible and comprehensive software for processing omics data.
Alignment of LC-MS Profiles by Neighbor-wise Compound-specific Graphical Time Warping with Misalignment Detection
Alignment of LC-MS Profiles by Neighbor-wise Compound-specific Graphical Time Warping with Misalignment Detection
ALS for the Automatic Chemical Exploration of mixtures
ALS for the Automatic Chemical Exploration of mixtures
A Method for 'Connecting The Dots' in Weighted Graphs
Annotation of Isotopes, Adducts and Fragmentation Adducts for in-Source LC/MS Metabolomics Data
Annotation of Isotopes, Adducts and Fragmentation Adducts for in-Source LC/MS Metabolomics Data
A package to run mixture models for truncated metabolomics data with normal or lognormal distributions
A package to run mixture models for truncated metabolomics data with normal or lognormal distributions
a tool set for pathway based data integration and visualization
a tool set for pathway based data integration and visualization
a tool set for pathway based data integration and visualization
a tool set for pathway based data integration and visualization
Automated Evaluation of Precursor Ion Purity for Mass Spectrometry Based Fragmentation in Metabolomics
Automated Evaluation of Precursor Ion Purity for Mass Spectrometry Based Fragmentation in Metabolomics
Automated Evaluation of Precursor Ion Purity for Mass Spectrometry Based Fragmentation in Metabolomics
Automated Optimization of XCMS Data Processing parameters
Automated Optimization of XCMS Data Processing parameters
Automated Optimization of XCMS Data Processing parameters
Automated parameter selection for untargeted metabolomics data processing
Automated parameter selection for untargeted metabolomics data processing
Automated parameter selection for untargeted metabolomics data processing
Automated Report Generation For Metabolomics Analyses
Automated spectraL Processing System for NMR
Automatic Statistical Identification in Complex Spectra
Automatic Statistical Identification in Complex Spectra
Bioconductor Tools for Human Mitochondrial Variant Analysis
Bioconductor Tools for Human Mitochondrial Variant Analysis
Biological Network Analysis
Biological Network Analysis
Cheminformatics Toolkit for R
Cheminformatics Toolkit for R
Classification and Feature Selection for 'Omics' Datasets
Classification and Feature Selection for 'Omics' Datasets
Clustering of MS2 Spectra for Metabolite Identification
Clustering of MS2 Spectra for Metabolite Identification
Code for using BridgeDb identifier mapping framework from within R
Code for using BridgeDb identifier mapping framework from within R
Code to convert quantities, using the QUDT ontology
Collection of annotation related methods for mass spectrometry data
Collection of annotation related methods for mass spectrometry data
Collection of utility functions to work with .gda files in R
common_mz
common_mz
Compositional omics model based visual integration
Compositional omics model based visual integration
Compositional omics model based visual integration
Comprehensitive tools for metabolomics data processing and data analysis
Comprehensitive tools for metabolomics data processing and data analysis.
Consensus Structural Chemical Classifications For Putative Molecular Formula Assignments
Consensus Structural Chemical Classifications For Putative Molecular Formula Assignments
Constraint based modeling in R using metabolic reconstruction databases
Constraint based modeling in R using metabolic reconstruction databases
Conversion between the Workflow4metabolomics tabulated format and the ExpressionSet bioconductor class
Core Utils for Mass Spectrometry Data
Core Utils for Mass Spectrometry Data
Core Utils for Metabolomics Data
Correction for natural isotope abundance and tracer purity in MS and MS/MS data from stable isotope labeling experiments
Correction for natural isotope abundance and tracer purity in MS and MS/MS data from stable isotope labeling experiments
cosmiq - COmbining Single Masses Into Quantities
cosmiq - COmbining Single Masses Into Quantities
Covariate Assisted Large-scale Multiple testing
Covariate Assisted Large-scale Multiple testing
Creating and using (Chemical) Compound Annotation Databases
Creating and using (Chemical) Compound Annotation Databases
Cross-target analysis of small molecule bioactivity
Cross-target analysis of small molecule bioactivity
Data extraction pipeline for large-scale GC-MS metabolomics datasets
Data management and analysis of ion trees from ion-trap mass spectrometry
Data processing & analysis tools for Metabolomics and other omics
Data processing & analysis tools for Metabolomics and other omics
Data processing & analysis tools for Metabolomics and other omics
Decomposition of Isotopic Patterns
Decomposition of Isotopic Patterns
Differential Abundant Analysis for Metabolomics and Proteomics Data
Differential Abundant Analysis for Metabolomics and Proteomics Data
dycone - analyze the dynamic landscape of metabolome data
Dynamic Programming Based Alignment of MS2 Chromatograms
Dynamic Programming Based Alignment of MS2 Chromatograms
Dynamic Programming Based Alignment of MS2 Chromatograms
Dynamic Programming Based Alignment of MS2 Chromatograms
Dynamic Programming Based Alignment of MS2 Chromatograms
Ensemble of Gene Set Enrichment Analyses
Ensemble of Gene Set Enrichment Analyses
Evaluation of normalization methods and calculation of differential expression analysis statistics
Evaluation of normalization methods and calculation of differential expression analysis statistics
Extensions to the xcms package
Fast identification of Cl or Br containing compounds in LC-MS
GC-SIM-MS data processing and alaysis tool
getWorklist
Graphical User Interface for IsoCorrectoR
Graphical User Interface for IsoCorrectoR
GRAPH Interaction from pathway Topological Environment
GRAPH Interaction from pathway Topological Environment
High throughput prioritized acquisition and processing of tandem mass spectra
Import, process and analysis of Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) imaging data
Inferring metabolic networks from untargeted high-resolution mass spectrometry data
Inferring metabolic networks from untargeted high-resolution mass spectrometry data
Infrastructure for chromatographic representation of Mass Spectrometry Data
Infrastructure for Mass Spectrometry Experiments
Integrated Differential Expression and Differential Network Analysis (INDEED)
Integrative Pathway Analysis with Modern PCA Methodology and Gene Selection
Integrative Pathway Analysis with Modern PCA Methodology and Gene Selection
Interactive Visualization of Integrated Differential Expression and Differential Network Analysis for Biomarker Candidate Selection Package
Interactive Visualization of Integrated Differential Expression and Differential Network Analysis for Biomarker Candidate Selection Package
Interpretation and enrichment for metabolomics data
Interpretation and enrichment for metabolomics data
LC-MS and GC-MS Data Analysis
LC-MS and GC-MS Data Analysis
LC-MS and GC-MS Data Analysis
LC/MS and GC/MS Data Analysis
LC/MS and GC/MS Data Analysis
LC/MS and GC/MS Data Analysis
Linear Models for Microarray Data
Lipid and Oxylipin Biomarker Screening through Adduct Hierarchy Sequences
Lipid and Oxylipin Biomarker Screening through Adduct Hierarchy Sequences
Mass spectrometry data backend
Mass Spectrometry Data Backend for Mascot Generic Format (mgf) Files
Mass Spectrometry Data Backend for MassBank record Files
Mass Spectrometry Data Backend for NIST msp Files
Mass spectrometry data backends for The Human Metabolome Database
Mass spectrometry data backends for The Human Metabolome Database
Mass Spectrometry Metabolomics Feature Clustering and Interpretation
Mass Spectrometry Metabolomics Feature Clustering and Interpretation
Maximum rank reproducibility
Metab: An R Package for a High-Throughput Analysis of Metabolomics Data Generated by GC-MS.
Metabolite identification based on MS1 and MS2 spectra
Metabolite identification based on MS1 and MS2 spectra
Metabolite Set Enrichment Analysis (MSEA)
Metabolomic Quantitative Trait Locus Mapping for 1H NMR data
Metabolomic Quantitative Trait Locus Mapping for 1H NMR data
Metabolomics Workbench in R
MetDNA
Method for Combining LC-MS Metabolomics Feature Measurements
Method for Combining LC-MS Metabolomics Feature Measurements
Methods for Pre-Treatment, Classification, Feature Selection and Correlation Analyses of Metabolomics Data
MetNormalizer
Miscellaneous Functions for Metabolomics Analyses
Mismatch Tolerant Maximum Common Substructure Searching
Model-based Genomically Informed High-dimensional Predictor of Microbial Community Metabolite Profiles
ms2Plot
MS-based metabolomics annotation pipeline
MS-based metabolomics annotation pipeline
MS-based metabolomics annotation pipeline
MWASTools: an integrated pipeline to perform metabolome-wide association studies
Navigating mass spectral similarity in high-resolution MS/MS metabolomics data
Navigating mass spectral similarity in high-resolution MS/MS metabolomics data
Navigating mass spectral similarity in high-resolution MS/MS metabolomics data
Navigating mass spectral similarity in high-resolution MS/MS metabolomics data
Network Analysis Supported by Boosting
Omics Data Integration Project
Omics Data Integration Project
Omics Data Integration Project
Omics Longitudinal Differential Analysis
Omics Longitudinal Differential Analysis
Overlay omics data onto SBGN pathway diagram
Overlay omics data onto SBGN pathway diagram
Overlay omics data onto SBGN pathway diagram
Package for Summarizing, Filtering, Imputing, and Normalizing Metabolomics Data
parser for netCDF, mzXML, mzData and mzML and mzIdentML files (mass spectrometry data)
parser for netCDF, mzXML, mzData and mzML and mzIdentML files (mass spectrometry data)
parser for netCDF, mzXML, mzData and mzML files (mass spectrometry data)
PCA, PLS(-DA) and OPLS(-DA) for multivariate analysis and feature selection of omics data
PCA, PLS(-DA) and OPLS(-DA) for multivariate analysis and feature selection of omics data
PeakABro
PeakABro
Peak Matrix Processing and signal batch correction for metabolomics datasets
Peak Matrix Processing and signal batch correction for metabolomics datasets
Peak Picking and Annotation of High Resolution Experiments
Peak Picking and Annotation of High Resolution Experiments
Peak picking parameter optimisation for xcms
Phenotype-driven module identification
Phenotype-driven module identification
Pipelines for Bi-Clustering Using Matrix Factorization
Predict metabolic pathway activity based on metabolomics data
Pre-process 1H-NMR FID signals
Pre-process 1H-NMR FID signals
Pre-process 1H-NMR FID signals
Pre-process 1H-NMR FID signals
Pre-process 1H-NMR FID signals
Preprocessing of FIA-HRMS data
Preprocessing of FIA-HRMS data
Preprocessing of spectra data from high resolution mass spectrometry
Pre-processing PTR-TOF-MS Data
Processing of adductomic mass spectral datasets
Processing of adductomic mass spectral datasets
Quantitative features for mass spectrometry data
Quantitative features for mass spectrometry data
Quantitative features for mass spectrometry data
RAMClust: a novel feature clustering method enables spectral-matching based annotation for metabolomics data
Rank Product method for identifying differentially expressed genes with application in meta-analysis
R interface to a subset of OpenBabel functionalities
R interface to a subset of OpenBabel functionalities
rWikiPathways - R client library for the WikiPathways API
rWikiPathways - R client library for the WikiPathways API
rWikiPathways - R client library for the WikiPathways API
rWikiPathways - R client library for the WikiPathways API
Signal batch correction for (LC)-MS data
Signature discovery from omics data
Spectra Infrastructure for Mass Spectrometry Data
Spectra Infrastructure for Mass Spectrometry Data
Spectral Processing for High Resolution Flow Infusion Mass Spectrometry
Spectral Processing for High Resolution Flow Infusion Mass Spectrometry
Spectral Processing for High Resolution Flow Infusion Mass Spectrometry
Spectrum Infrastructure for Mass Spectrometry Data
Statistical Analysis of Metabolomic Data
Statistical Analysis of Molecular Profiles
Statistical Analysis of Molecular Profiles
Statistical Analysis of Molecular Profiles
Strucutral and Functional Enrichment Analyses
Targeted Metabolic and Stable Isotope Tracer.
Time-Course Multi-Omics data integration
Time-Course Multi-Omics data integration
Time-Course Multi-Omics data integration
Tools for high-throughput metabolomics
Tools for high-throughput metabolomics
Translate metabolites ID
Unifying Input and Output for Processing of Metabolomic Profiling Experiments
User-friendly Workflow for Pre-processing and Statistical Analysis of Mass Spectrometry Data
User-friendly Workflow for Pre-processing and Statistical Analysis of Mass Spectrometry Data
Using Gaussian graphical structue learning estimation in generalized least squared regression for multivariate normal regression
Using Gaussian graphical structue learning estimation in generalized least squared regression for multivariate normal regression
utilities for exploration of human metabolome database
utilities for exploration of human metabolome database
Utility Functions from the Eurac Research Computational Metabolomics Team
W4M Cluster Peak Pics
Workflows for Metabolomics Analyses
Workflow to process tandem MS files and build MassBank records
Workflow to process tandem MS files and build MassBank records