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SyGMa

SyGMa provides fast and lightweight predictions of human metabolites to support discovery scientists design better and safer drugs

2
mentions
2
contributors

Cite this software

DOI:

10.5281/zenodo.1043306

What SyGMa can do for you

  • Predict human metabolites for a given (drug) molecule by:
  • Systematically applying chemical rules for phase 1 and phase 2 biotransformations
  • Ranking of predicted metabolites based on empirical success rates for each rule

This tool is a reimplementation of the metabolic rules outlined in:

Ridder, L., & Wagener, M. (2008) SyGMa: combining expert knowledge and empirical scoring in the prediction of metabolites. ChemMedChem, 3(5), 821-832.

Keywords
Workflow technologies
Programming language
  • Python 100%
License
</>Source code

Participating organisations

Netherlands eScience Center
Vrije Universiteit Amsterdam

Mentions

Contributors

Lars Ridder
Lars Ridder
Netherlands eScience Center
Stefan Verhoeven
Stefan Verhoeven

Related projects

3D-e-Chem

Efficient exploitation of the massive amount of modern-day life science data

Updated 16 months ago
Finished