{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,12,22]],"date-time":"2025-12-22T10:55:29Z","timestamp":1766400929181,"version":"3.37.3"},"reference-count":22,"publisher":"American Chemical Society (ACS)","issue":"22","license":[{"start":{"date-parts":[[2022,11,3]],"date-time":"2022-11-03T00:00:00Z","timestamp":1667433600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2022,11,3]],"date-time":"2022-11-03T00:00:00Z","timestamp":1667433600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2022,11,3]],"date-time":"2022-11-03T00:00:00Z","timestamp":1667433600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100004836","name":"Det Frie Forskningsr?d","doi-asserted-by":"publisher","award":["DFF-0135-00420B","DFF-7014-00041"],"award-info":[{"award-number":["DFF-0135-00420B","DFF-7014-00041"]}],"id":[{"id":"10.13039\/501100004836","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100009708","name":"Novo Nordisk Fonden","doi-asserted-by":"publisher","award":["NNF19OC0057834","NNF21OC0066551"],"award-info":[{"award-number":["NNF19OC0057834","NNF21OC0066551"]}],"id":[{"id":"10.13039\/501100009708","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2022,11,28]]},"DOI":"10.1021\/acs.jcim.2c00426","type":"journal-article","created":{"date-parts":[[2022,11,3]],"date-time":"2022-11-03T14:23:00Z","timestamp":1667485380000},"page":"5513-5524","source":"Crossref","is-referenced-by-count":2,"title":["Representing Catalytic Mechanisms with Rule Composition"],"prefix":"10.1021","volume":"62","author":[{"given":"Jakob L.","family":"Andersen","sequence":"first","affiliation":[{"name":"Department of Mathematics and Computer Science, University of Southern Denmark, Campusvej 55, 5230 Odense, Denmark"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1004-3314","authenticated-orcid":true,"given":"Rolf","family":"Fagerberg","sequence":"additional","affiliation":[{"name":"Department of Mathematics and Computer Science, University of Southern Denmark, Campusvej 55, 5230 Odense, Denmark"}]},{"given":"Christoph","family":"Flamm","sequence":"additional","affiliation":[{"name":"Department of Theoretical Chemistry, University of Vienna, W\u00e4hringer Stra\u00dfe 17, 1090 Vienna, Austria"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4062-9957","authenticated-orcid":true,"given":"Walter","family":"Fontana","sequence":"additional","affiliation":[{"name":"Department of Systems Biology, Harvard Medical School, 200 Longwood Avenue, Boston, Massachusetts 02115, United States"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9407-9682","authenticated-orcid":true,"given":"Juri","family":"Kol\u010d\u00e1k","sequence":"additional","affiliation":[{"name":"Department of Mathematics and Computer Science, University of Southern Denmark, Campusvej 55, 5230 Odense, Denmark"},{"name":"Department of Systems Biology, Harvard Medical School, 200 Longwood Avenue, Boston, Massachusetts 02115, United States"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9112-6981","authenticated-orcid":true,"given":"Christophe V.F.P.","family":"Laurent","sequence":"additional","affiliation":[{"name":"Department of Mathematics and Computer Science, University of Southern Denmark, Campusvej 55, 5230 Odense, Denmark"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7792-375X","authenticated-orcid":true,"given":"Daniel","family":"Merkle","sequence":"additional","affiliation":[{"name":"Department of Mathematics and Computer Science, University of Southern Denmark, Campusvej 55, 5230 Odense, Denmark"}]},{"given":"Nikolai","family":"N\u00f8jgaard","sequence":"additional","affiliation":[{"name":"Department of Mathematics and Computer Science, University of Southern Denmark, Campusvej 55, 5230 Odense, Denmark"}]}],"member":"316","published-online":{"date-parts":[[2022,11,3]]},"reference":[{"key":"ref1\/cit1","unstructured":"Levy, D. E. Arrow-Pushing in Organic Chemistry; John Wiley & Sons, 2011; p 320."},{"volume-title":"Monographs in Theoretical Computer Science. An EATCS Series","year":"2006","author":"Ehrig H.","key":"ref2\/cit2"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1017\/s0960129501003425"},{"key":"ref4\/cit4","first-page":"73","volume-title":"Graph Transformation. ICGT 2016. Lecture Notes in Computer Science","volume":"9761","author":"Andersen J. L.","year":"2016"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/ci00052a009"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkx1012"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gky876"},{"key":"ref8\/cit8","first-page":"11:1","volume-title":"27th EACSL Annual Conference on Computer Science Logic (CSL 2018)","author":"Behr N.","year":"2018"},{"key":"ref9\/cit9","first-page":"661","volume":"80","author":"Andersen J. L.","year":"2018","journal-title":"MATCH Commun. Math. Comput. Chem."},{"key":"ref10\/cit10","unstructured":"Kol\u010d\u00e1k, J.; Laurent, C. V. F. P.; N\u00f8jgaard, N. Overlay Graph Source code. 2022, https:\/\/github.com\/JuriKolcak\/overlay-graphs (accessed on April 12, 2022)."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"68","DOI":"10.1016\/j.tcs.2021.07.026","volume":"884","author":"Behr N.","year":"2021","journal-title":"Theor. Comput. Sci."},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btab296"},{"key":"ref13\/cit13","unstructured":"EMBL-EBI, M-CSA API. https:\/\/www.ebi.ac.uk\/thornton-srv\/m-csa\/api\/entries\/?format=json (accessed Sept 24, 2021)."},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkaa1100"},{"key":"ref15\/cit15","unstructured":"Landrum, G. Open-source cheminformatics. https:\/\/www.rdkit.org (accessed Jan 21, 2022)."},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.3390\/pr7040240"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1002\/ijch.201400187"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1089\/cmb.2019.0291"},{"key":"ref19\/cit19","first-page":"705","volume":"80","author":"Andersen J. L.","year":"2018","journal-title":"MATCH Commun. Math. Comput. Chem."},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.3390\/e15104066"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1109\/tcbb.2017.2781724"},{"key":"ref22\/cit22","unstructured":"Andersen, J. L.; Fagerberg, R.; Kol\u010d\u00e1k, J.; Laurent, C. V. F. P.; Merkle, D.; N\u00f8jgaard, N. Efficient Modular Graph Transformation Rule Application. 2022, arXiv preprint arXiv:2201.04360."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.2c00426","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.2c00426","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,25]],"date-time":"2023-04-25T10:33:02Z","timestamp":1682418782000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.2c00426"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,11,3]]},"references-count":22,"journal-issue":{"issue":"22","published-print":{"date-parts":[[2022,11,28]]}},"alternative-id":["10.1021\/acs.jcim.2c00426"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.2c00426","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"type":"print","value":"1549-9596"},{"type":"electronic","value":"1549-960X"}],"subject":[],"published":{"date-parts":[[2022,11,3]]}}}