README.md

CFM-ID

Version: 2.0

Short Description

http://cfmid.wishartlab.com/

Description

The program uses Competitive Fragmentation Modeling to produce a probabilistic generative model for the MS/MS fragmentation process and machine learning techniques to adapt the model parameters from data.

Key features

• Metabolomics identification.

Approaches

• Metabolomics / Untargeted

Instrument Data Types

• MS / LC-MS
• MS / GC-MS

Tool Authors

• Allen F
• Greiner R
• Wishart D

Container Contributors

• Christoph Ruttkies (IPB-Halle)
• Payam Emami (UU/NBIS)

Website

• http://cfmid.wishartlab.com/

Publications

• Allen F, Greiner R, and Wishart D. Computational prediction of electron ionization mass spectra to assist in GC-MS compound identification. Submitted, 2016. Supporting Data: https://sourceforge.net/p/cfm-id/code/HEAD/tree/supplementary_material/2016_ei_ms_paper/