anani-a-missinou

Brassica_Metabolomics_defensive-chemical-traits

Metabolomics characterization of the diversity of defensive-chemical-traits in Brassica oleracea and Brassica rapa

DESCRIBE-roots

Computational analysis of two novel polynitrogenated aromatic heterocycles detected in DESCRIBE project, the first one conjugated to leucine (m/z 320.099 [M-H]-) and the second one to homophenylalanine (368.099 [M-H]-) suspected as two pteridine-like conjugated amino acids.

Metabolomics-Filtering

Metabolomics-Filtering removes uninformative, imputes and normalizes, and find significant variation of features in untargeted metabolomics datasets.

starter-hugo-academic

q2-qemistree

Hierarchical orderings for mass spectrometry data. Canonically pronounced "chemis-tree".

ISFrag

A bioinformatic tool facilitating automated in-source fragmentation identification

matchms

Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.

mzmine

mzmine source code repository

ms-pred

Predicting tandem mass spectra from molecules

tima

https://taxonomicallyinformedannotation.github.io/tima

anani-a-missinou/Brassica_Metabolomics_defensive-chemical-traits

Metabolomics characterization of the diversity of defensive-chemical-traits in Brassica oleracea and Brassica rapa

anani-a-missinou/DESCRIBE-roots

Computational analysis of two novel polynitrogenated aromatic heterocycles detected in DESCRIBE project, the first one conjugated to leucine (m/z 320.099 [M-H]-) and the second one to homophenylalanine (368.099 [M-H]-) suspected as two pteridine-like conjugated amino acids.

anani-a-missinou/Metabolomics-Filtering

Metabolomics-Filtering removes uninformative, imputes and normalizes, and find significant variation of features in untargeted metabolomics datasets.

anani-a-missinou/starter-hugo-academic