Metabolome Annotation Workflow (MAW)
Stable

This repository hosts Metabolome Annotation Workflow (MAW). The workflow takes MS2 .mzML format data files as an input in R. It performs spectral database dereplication using R Package Spectra and compound database dereplication using SIRIUS OR MetFrag . Final candidate selection is done in Python using RDKit and PubChemPy.

Type: Common Workflow Language

Creators: Mahnoor Zulfiqar, Michael R. Crusoe, Luiz Gadelha, Christoph Steinbeck, Maria Sorokina, Kristian Peters

Submitter: Mahnoor Zulfiqar

DOI: 10.48546/workflowhub.workflow.510.2

0: View complete virus identification
Work-in-progress

Non-functional workflow to get a global view of possibilities for plant virus classification.

Type: Galaxy

Creators: None

Submitter: johan Rollin

Download
nf-core/metaboigniter
Work-in-progress

Pre-processing of mass spectrometry-based metabolomics data

Type: Nextflow

Creators: Payam Emami, Payam Emami

Submitter: WorkflowHub Bot

Powered by
 (v.1.16.0-main)
About WorkflowHub | Acknowledgements | Credits | Terms & Conditions | Privacy Policy | Cite us | Contact us
Copyright © 2008 - 2024 The University of Manchester and HITS gGmbH