Weekly Notes for Week 41

This weeks (41) topics: after some recap of canonicalization and the mød framework, we start with Ring Perception, Hanser Algorithm, Horton’s algorithm, de Pina’s algorithm.

• Mandatory Reading:

  – Franziska Berger, Christoph Flamm, Petra M. Gleiss, Josef Leydold, Peter F. Stadler: Counterexamples in Chemical Ring Perception. Journal of Chemical Information and Modeling 44(2): 323-331 (2004)

  – Hanser T, Jauffret P, Kaufmann G, (1996), A New Algorithm for Exhaustive Ring Perception in a Molecular Graph. J Chem Inf Comput Sci, 36(6):1146-1152. DOI:10.1021/c

• Recommended reading if you are more interested:

  – Downs, G.M., Gillet, V.J., Holliday, J.D., Lynch, M.F.: Theoretical aspects of ring perception and development of the extended set of smallest rings concept. Journal of Chemical Information and Computer Sciences, 187-206 (1989)