20122020

Research output per year

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Research Output

  • 12 Journal article
  • 7 Article in proceedings
  • 1 Ph.D. thesis
  • 1 Book chapter
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Journal article
2020

Combining Graph Transformations and Semigroups for Isotopic Labeling Design

Andersen, J. L., Merkle, D. & Rasmussen, P. S., 2020, In : Journal of Computational Biology. 27, 2, p. 269-287 19 p.

Research output: Contribution to journalJournal articleResearchpeer-review

2019

Chemical transformation motifs: modelling pathways as integer hyperflows

Andersen, J. L., Flamm, C., Merkle, D. & Stadler, P. F., 1. Mar 2019, In : IEEE/ACM Transactions on Computational Biology and Bioinformatics. 16, 2, p. 510-523

Research output: Contribution to journalJournal articleResearchpeer-review

File
144 Downloads (Pure)

Exploring Plant Sesquiterpene Diversity by Generating Chemical Networks

Silva, W. M. C. D., Andersen, J. L., Holanda, M. T., Walter, M. E. M. T., Brigido, M. M., Stadler, P. F. & Flamm, C., 2019, In : Processes. 7, 4, 18 p., 240.

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
71 Downloads (Pure)
2018

Rule composition in graph transformation models of chemical reactions

Andersen, J. L., Flamm, C., Merkle, D. & Stadler, P. F., 1. Jan 2018, In : Match. 80, 3, p. 661-704 44 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
54 Downloads (Pure)

Towards mechanistic prediction of mass spectra using graph transformation

Andersen, J. L., Fagerberg, R., Flamm, C., Kianian, R., Merkle, D. & Stadler, P. F., 1. Jan 2018, In : MATCH Communications in Mathematical and in Computer Chemistry. 80, 3, p. 705-731

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
51 Downloads (Pure)
2017

An intermediate level of abstraction for computational systems chemistry

Andersen, J. L., Flamm, C., Merkle, D. & Stadler, P. F., 2017, In : Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences. 375, 2109, 20160354.

Research output: Contribution to journalJournal articleResearchpeer-review

File
122 Downloads (Pure)
2015

In silico Support for Eschenmoser’s Glyoxylate Scenario

Andersen, J. L., Flamm, C., Merkle, D. & Stadler, P. F., 2015, In : Israel Journal of Chemistry. 55, 8, p. 919–933

Research output: Contribution to journalJournal articleResearchpeer-review

Towards Optimal DNA-Templated Computing

Andersen, J. L., Flamm, C., Hanczyc, M. M. & Merkle, D., 2015, In : International Journal of Unconventional Computing. 11, 3-4, p. 185-203

Research output: Contribution to journalJournal articleResearchpeer-review

2014

Generic Strategies for Chemical Space Exploration

Andersen, J. L., Merkle, D., Flamm, C. & Stadler, P., 28. May 2014, In : International Journal of Computational Biology and Drug Design. 7, 2/3, p. 225-258

Research output: Contribution to journalJournal articleResearchpeer-review

2013

Inferring chemical reaction patterns using rule composition in graph grammars

Andersen, J. L., Flamm, C., Merkle, D. & Stadler, P. F., 6. Jun 2013, In : Journal of Systems Chemistry. 4, 4

Research output: Contribution to journalJournal articleResearchpeer-review

Navigating the Chemical Space of HCN Polymerization and Hydrolysis: Guiding Graph Grammars by Mass Spectrometry Data

Andersen, J. L., Andersen, T., Flamm, C., Hanczyc, M., Merkle, D. & Stadler, P. F., 2013, In : Entropy. 15, 10, p. 4066-4083

Research output: Contribution to journalJournal articleResearchpeer-review

2012

Maximizing output and recognizing autocatalysis in chemical reaction networks is NP-complete

Andersen, J. L., Flamm, C., Merkle, D. & Stadler, P. F., 2012, In : Journal of Systems Chemistry. 3, 1

Research output: Contribution to journalJournal articleResearchpeer-review