SyGMa

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

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61 commits | Last update: March 19, 2018

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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.

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Tags
  • Workflow technologies
Programming Language
  • Python
License
  • GPL-3.0

Participating organizations

Mentions

1 Journal article

1 Presentation

Projects with

Contributors

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