Identification of regulated metabolite families.
The MetFamily web application is designed for the identification of regulated metabolite families. This is possible on the basis of metabolite profiles for a set of MS features as well as one MS/MS spectrum for each MS feature. Group-discriminating MS features are identified using a principal component analysis (PCA) of metabolite profiles and metabolite families are identified using a hierarchical cluster analysis (HCA) of MS/MS spectra. Regulated metabolite families are identified by considering group-discriminating MS features from corporate metabolite families.
- Hendrik Treutler (IPB-Halle)
- Kristian Peters (IPB-Halle)
For local individual installation:
docker pull docker-registry.phenomenal-h2020.eu/phnmnl/metfamily
For direct docker usage:
docker run docker-registry.phenomenal-h2020.eu/phnmnl/metfamily ...
For launchin with traefik:
docker-compose -f traefik/docker-compose.yaml up -d curl -H Host:metfamily.docker.localhost http://localhost:80
Treutler H, Tsugawa H, Porzel A, Gorzolka K, Tissier A, Neumann S, Balcke GU (2016): Discovering Regulated Metabolite Families in Untargeted Metabolomics Studies. Anal Chem 88(16):8082-90. doi:10.1021/acs.analchem.6b01569