Many of our research results are implemented in MØD, a software package developed for graph-based cheminformatics. It includes a general graph transformation system for automatically generating reaction networks from graph grammar formulations of chemistries. However, in general our main research focus includes, but is not limited to

  • Chemical Graph Theory
  • Graph Transformation
  • Algorithmic / Discrete Cheminformatics
  • Chemical Space Exploaration
  • Chemical Design and Metabolic Engineering
  • Computational Complexity Questions
  • Atom-Atom Mapping
  • Petri-Net approaches
  • Stereochemistry
  • Group Contribution Methods
  • Synthesis Planning
  • DNA-Templated Computing