Heuristic based feature annotations/identifications of LC-MS metabolomics dataset.
Project description
[](https://travis-ci.org/jerkos/mzOS) [](https://coveralls.io/github/jerkos/mzOS?branch=master) [](https://www.quantifiedcode.com/app/project/f458ff06e0bd4eb8b2b98cee0dab6ecb)
## Small library for features annotations in LC-MS metabolomics experiments:
[x] isotopes detection
[x] adducts/fragments annotation using simple heuristics (when conflicts)
[x] database search (HMDB, LMSD) from local sqlite file (fast)
[x] database assignment scoring based on predicted isotopic distribution and bayesian algorithm.
[ ] functionnal annotation, metabolite pathway enrichment analysis (MPEA)
More details [here](http://jerkos.github.io/mzOS)
## Dependancies
numpy
scipy
scikit-learn
pandas
## TODOs:
documentation
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](https://travis-ci.org/jerkos/mzOS){kind=link}
](https://coveralls.io/github/jerkos/mzOS){kind=link}
](https://www.quantifiedcode.com/app/project/f458ff06e0bd4eb8b2b98cee0dab6ecb){kind=link}