J
Jakob L. Andersen
Researcher at University of Southern Denmark
Publications - 41
Citations - 445
Jakob L. Andersen is an academic researcher from University of Southern Denmark. The author has contributed to research in topics: Graph rewriting & Graph (abstract data type). The author has an hindex of 11, co-authored 37 publications receiving 368 citations. Previous affiliations of Jakob L. Andersen include Tokyo Institute of Technology & Max Planck Society.
Papers
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Journal ArticleDOI
Maximizing output and recognizing autocatalysis in chemical reaction networks is NP-complete
TL;DR: This work shows that the output maximization problem in chemical reaction networks is NP-complete and that efficient heuristics and approximate algorithms need to be employed for the analysis of large chemical networks since even conceptually simple flow problems are provably intractable.
Journal ArticleDOI
Inferring chemical reaction patterns using rule composition in graph grammars
TL;DR: In this paper, a generic approach for composing graph grammar rules to define a chemically useful rule compositions is introduced, which can be used to study polymerization reactions as well as more complicated iterative reaction schemes.
Journal ArticleDOI
Navigating the Chemical Space of HCN Polymerization and Hydrolysis: Guiding Graph Grammars by Mass Spectrometry Data
Jakob L. Andersen,Tommy Andersen,Christoph Flamm,Martin M. Hanczyc,Daniel Merkle,Peter F. Stadler +5 more
TL;DR: It is demonstrated that experimental data, here obtained by mass spectrometry, and computationally predicted free energies together can be used to guide the exploration of the chemical space and makes it feasible to investigate likely pathways and chemical motifs even in potentially open-ended chemical systems.
Book ChapterDOI
A software package for chemically inspired graph transformation
TL;DR: A general software package for this type of graph rewriting system, which can be used for modelling chemical systems, and has extensive procedures for automatically visualising not only graphs and rewrite rules, but also Double Pushout diagrams and graph languages in form of directed hypergraphs.
Journal ArticleDOI
Generic strategies for chemical space exploration
TL;DR: A framework for the specification of exploration strategies in graph-rewriting systems is presented and the feasibility of this high-level strategy framework is demonstrated.