26 citations · 71 across the 21 of their papers we have counts for
3 papers · 1 filter
On the Complexity of Reconstructing Chemical Reaction Networks
Rolf Fagerberg, Christoph Flamm, Daniel Merkle +2
The analysis of the structure of chemical reaction networks is crucial for a better understanding of chemical processes. Such networks are well described as hypergraphs. However, d…
The Graph Grammar Library - a generic framework for chemical graph rewrite systems
Martin Mann, Heinz Ekker, Christoph Flamm
Graph rewrite systems are powerful tools to model and study complex problems in various fields of research. Their successful application to chemical reaction modelling on a molecul…
Generic Strategies for Chemical Space Exploration
Jakob L. Andersen, Christoph Flamm, Daniel Merkle +1
Computational approaches to exploring "chemical universes", i.e., very large sets, potentially infinite sets of compounds that can be constructed by a prescribed collection of reac…