SEEK ID: https://workflowhub.eu/people/747
Location:
Czechia
ORCID:
https://orcid.org/0000-0001-6744-996X
Joined: 17th May 2024
Expertise: Bioinformatics, Cheminformatics, Metabolomics, Python, R, Software Engineering, Workflows
Tools: Metabolomics, Python, R, Workflows, Mass spectrometry, Chromatography
Related items
Galaxy is an open, web-based platform for accessible, reproducible, and transparent computational biological research.
- Accessible: Users can easily run tools without writing code or using the CLI; all via a user-friendly web interface.
- Reproducible: Galaxy captures all the metadata from an analysis, making it completely reproducible.
- Transparent: Users share and publish analyses via interactive pages that can enhance analyses with user annotations.
- Scalable: Galaxy can run ...
Teams: Galaxy Training Network, usegalaxy-eu, Intergalactic Workflow Commission (IWC)
Web page: https://galaxyproject.org/
ELIXIR is an intergovernmental organisation that brings together life science resources from across Europe. These resources include databases, software tools, training materials, cloud storage and supercomputers.
The goal of ELIXIR is to coordinate these resources so that they form a single infrastructure. This infrastructure makes it easier for scientists to find and share data, exchange expertise, and agree on best practices. Ultimately, it will help them gain new insights into how living ...
Teams: ELIXIR Training, FAIR Computational Workflows, EuroScienceGateway, BY-COVID (general), ELIXIR Tools platform, ELIXIR Metabolomics
Web page: https://elixir-europe.org/
This team and associated Galaxy workflows are maintained by the European Galaxy Team.
Space: Galaxy
Public web page: https://usegalaxy.eu
Organisms: Not specified
The Intergalactic Workflow Commission releases vetted analysis pipelines for the Galaxy platform.
You can contribute too!
Space: Galaxy
Public web page: https://iwc.galaxyproject.org/
Organisms: Not specified
Space: ELIXIR
Public web page: https://elixir-europe.org/communities/metabolomics
Organisms: Not specified
Space: EIRENE-CZ
Public web page: https://www.recetox.muni.cz/en
Organisms: Homo sapiens
Spectrometric Data Processing & Analysis Department of RECETOX.
Space: EIRENE-CZ
Public web page: https://www.recetox.muni.cz/en/services/data-services-2/spectrometric-data-processing-and-analysis
Organisms: Homo sapiens
High-Performance Computing (HPC) environments are integral to quantum chemistry and computationally intense research, yet their complexity poses challenges for non-HPC experts. Navigating these environments proves challenging for researchers lacking extensive computational knowledge, hindering efficient use of domain specific research software. The prediction of mass spectra for in silico annotation is therefore inaccessible for many wet lab scientists. Our main goal is to facilitate non-experts ...
Creators: Helge Hecht, Wudmir Rojas
Submitter: Helge Hecht
High-Performance Computing (HPC) environments are integral to quantum chemistry and computationally intense research, yet their complexity poses challenges for non-HPC experts. Navigating these environments proves challenging for researchers lacking extensive computational knowledge, hindering efficient use of domain specific research software. The prediction of mass spectra for in silico annotation is therefore inaccessible for many wet lab scientists. Our main goal is to facilitate non-experts ...
Type: Galaxy
Creators: Zargham Ahmad, Helge Hecht, Wudmir Rojas, RECETOX SpecDat
Submitters: Helge Hecht, Wudmir Rojas
Galaxy Workflow Documentation: MS Finder Pipeline
This document outlines a MSFinder Galaxy workflow designed for peak annotation. The workflow consists of several steps aimed at preprocessing MS data, filtering, enhancing, and running MSFinder.
Step 1: Data Collection and Preprocessing
Collect if the inchi and smiles are missing from the dataset, and subsequently filter out the spectra which are missing inchi and smiles.
1.1 MSMetaEnhancer: Collect InChi, Isomeric_smiles, and Nominal_mass
...
Type: Galaxy
Creators: Zargham Ahmad, Helge Hecht, Elliott J. Price, Research Infrastructure RECETOX RI (No LM2018121) financed by the Ministry of Education, Youth and Sports, and Operational Programme Research, Development and Innovation - project CETOCOEN EXCELLENCE (No CZ.02.1.01/0.0/0.0/17_043/0009632).
Submitters: Helge Hecht, Zargham Ahmad