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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
  • GPL-3.0
</>Source code

Participating organisations

Netherlands eScience Center
Vrije Universiteit Amsterdam

Mentions

Contributors

Contact person

Lars Ridder

Lars Ridder

Netherlands eScience Center
Mail Lars
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 13 months ago
Finished