| A software package for chemically inspired graph transformation JL Andersen, C Flamm, D Merkle, PF Stadler Graph Transformation: 9th International Conference, ICGT 2016, in Memory of …, 2016 | 71 | 2016 |
| Inferring chemical reaction patterns using rule composition in graph grammars JL Andersen, C Flamm, D Merkle, PF Stadler Journal of Systems Chemistry 4, 1-14, 2013 | 52 | 2013 |
| Chemical transformation motifs—Modelling pathways as integer hyperflows JL Andersen, C Flamm, D Merkle, PF Stadler IEEE/ACM transactions on computational biology and bioinformatics 16 (2 …, 2017 | 50 | 2017 |
| Navigating the chemical space of HCN polymerization and hydrolysis: guiding graph grammars by mass spectrometry data JL Andersen, T Andersen, C Flamm, MM Hanczyc, D Merkle, PF Stadler Entropy 15 (10), 4066-4083, 2013 | 47 | 2013 |
| Generic strategies for chemical space exploration JL Andersen, C Flamm, D Merkle, PF Stadler International journal of computational biology and drug design 7 (2-3), 225-258, 2014 | 45 | 2014 |
| Maximizing output and recognizing autocatalysis in chemical reaction networks is NP-complete JL Andersen, C Flamm, D Merkle, PF Stadler Journal of Systems Chemistry 3, 1-9, 2012 | 39 | 2012 |
| An intermediate level of abstraction for computational systems chemistry JL Andersen, C Flamm, D Merkle, PF Stadler Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2017 | 30 | 2017 |
| Rule composition in graph transformation models of chemical reactions JL Andersen, C Flamm, D Merkle, PF Stadler Match 80 (3), 661-704, 2018 | 21 | 2018 |
| Defining autocatalysis in chemical reaction networks JL Andersen, C Flamm, D Merkle, PF Stadler arXiv preprint arXiv:2107.03086, 2021 | 20 | 2021 |
| Chemical graph transformation with stereo-information JL Andersen, C Flamm, D Merkle, PF Stadler Graph Transformation: 10th International Conference, ICGT 2017, Held as Part …, 2017 | 18 | 2017 |
| 50 Shades of rule composition: From chemical reactions to higher levels of abstraction JL Andersen, C Flamm, D Merkle, PF Stadler Formal Methods in Macro-Biology 8738, 117-135, 0 | 15* | |
| In silico Support for Eschenmoser’s Glyoxylate Scenario JL Andersen, C Flamm, D Merkle, PF Stadler Israel Journal of Chemistry 55 (8), 919-933, 2015 | 14 | 2015 |
| An open source computational workflow for the discovery of autocatalytic networks in abiotic reactions A Arya, J Ray, S Sharma, RC Simbron, A Lozano, HB Smith, JL Andersen, ... Chemical Science 13 (17), 4838-4853, 2022 | 12 | 2022 |
| A generic framework for engineering graph canonization algorithms JL Andersen, D Merkle Journal of Experimental Algorithmics (JEA) 25, 1-26, 2020 | 11 | 2020 |
| Towards mechanistic prediction of mass spectra using graph transformation JL Andersen, R Fagerberg, C Flamm, R Kianian, D Merkle, PF Stadler MATCH Communications in Mathematical and in Computer Chemistry 80 (3), 705-731, 2018 | 8 | 2018 |
| Graph Transformation JL Andersen, C Flamm, D Merkle, PF Stadler Springer, Cham, Switzerland, 2016 | 8 | 2016 |
| Rewriting theory for the life sciences: A unifying theory of CTMC semantics N Behr, J Krivine, JL Andersen, D Merkle Theoretical Computer Science 884, 68-115, 2021 | 7 | 2021 |
| Exploring plant sesquiterpene diversity by generating chemical networks WMC Silva, JL Andersen, MT Holanda, MEMT Walter, MM Brigido, ... Processes 7 (4), 240, 2019 | 7 | 2019 |
| Graph transformation for enzymatic mechanisms JL Andersen, R Fagerberg, C Flamm, W Fontana, J Kolčák, CVFP Laurent, ... Bioinformatics 37 (Supplement_1), i392-i400, 2021 | 6 | 2021 |
| Graph transformations, semigroups, and isotopic labeling JL Andersen, D Merkle, PS Rasmussen International Symposium on Bioinformatics Research and Applications, 196-207, 2019 | 6 | 2019 |
Daniel MerkleProfessor, University of Southern DenmarkVerified email at imada.sdu.dk
