SyGMa

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

2
mentions
2
contributors
Get started
61 commits | Last update: March 19, 2018

Cite this software

Choose a version:
[[ releases[selectedIndex].tag ]]
  • [[release.tag]]
DOI:
[[ releases.length > 0 ? releases[selectedIndex].doi : conceptDOI ]]
Copy to clipboard
Choose a reference manager file format:
[[ fileFormats[selectedFileFormatIndex].displayName ]]
  • [[ format.displayName ]]
Download file

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.

Read more
Tags
  • Workflow technologies
Programming Language
  • Python
License
  • GPL-3.0
Source code

Participating organizations

Mentions

1 Journal article

1 Presentation

Projects with SyGMa

Contributors

  • Lars Ridder
    Netherlands eScience Center
  • Stefan Verhoeven
    Netherlands eScience Center
Contact person
Lars Ridder
Netherlands eScience Center
Mail Lars

Information for page maintainers

OAI-PMH metadata:
OK
citation metadata:
no valid CITATION.cff found in any release.
Show