{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,22]],"date-time":"2026-06-22T17:21:22Z","timestamp":1782148882025,"version":"3.54.5"},"reference-count":64,"publisher":"American Chemical Society (ACS)","issue":"7","license":[{"start":{"date-parts":[[2025,1,15]],"date-time":"2025-01-15T00:00:00Z","timestamp":1736899200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,1,15]],"date-time":"2025-01-15T00:00:00Z","timestamp":1736899200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2025,1,15]],"date-time":"2025-01-15T00:00:00Z","timestamp":1736899200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100008454","name":"Boehringer Ingelheim Stiftung","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100008454","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100007215","name":"Verband der Chemischen Industrie","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100007215","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2025,4,14]]},"DOI":"10.1021\/acs.jcim.4c02106","type":"journal-article","created":{"date-parts":[[2025,1,15]],"date-time":"2025-01-15T14:03:21Z","timestamp":1736949801000},"page":"3127-3136","source":"Crossref","is-referenced-by-count":4,"title":["AUTOGRAPH: Chemical Reaction Networks in 3D"],"prefix":"10.1021","volume":"65","author":[{"given":"Philipp","family":"Kuboth","sequence":"first","affiliation":[{"name":"Theory and Simulation of Complex Systems, Institute of Physical Chemistry, Heinrich-Heine Universit\u00e4t, Universit\u00e4tsstr. 1, 40225 D\u00fcsseldorf, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jan A.","family":"Meissner","sequence":"additional","affiliation":[{"name":"Theory and Simulation of Complex Systems, Institute of Physical Chemistry, Heinrich-Heine Universit\u00e4t, Universit\u00e4tsstr. 1, 40225 D\u00fcsseldorf, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wassja A.","family":"Kopp","sequence":"additional","affiliation":[{"name":"Theory and Simulation of Complex Systems, Institute of Physical Chemistry, Heinrich-Heine Universit\u00e4t, Universit\u00e4tsstr. 1, 40225 D\u00fcsseldorf, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1301-2612","authenticated-orcid":true,"given":"Jan","family":"Meisner","sequence":"additional","affiliation":[{"name":"Theory and Simulation of Complex Systems, Institute of Physical Chemistry, Heinrich-Heine Universit\u00e4t, Universit\u00e4tsstr. 1, 40225 D\u00fcsseldorf, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2025,1,15]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1038\/s41570-021-00328-8"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1021\/acs.iecr.2c03291"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1016\/j.compchemeng.2012.06.008"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1038\/s41586-019-1151-1"},{"key":"ref5\/cit5","doi-asserted-by":"crossref","unstructured":"Zhao, Q.; Savoie, B. Deep Reaction Network Exploration of Glucose Pyrolysis.  ChemRxiv (Organic Chemistry), March 8, 2023. DOI: 10.26434\/chemrxiv-2023-0sqd4.","DOI":"10.26434\/chemrxiv-2023-0sqd4"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1002\/cctc.202301355"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1016\/j.chempr.2024.02.001"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.3389\/fmicb.2020.00817"},{"key":"ref9\/cit9","doi-asserted-by":"crossref","unstructured":"Woulfe, M.; Savoie, B. Chemical Networks from Scratch with Reaction Prediction and Kinetics-Guided Exploration.  ChemRxiv (Physical Chemistry), June 17, 2024. DOI: 10.26434\/chemrxiv-2024-v15kp.","DOI":"10.26434\/chemrxiv-2024-v15kp"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.5194\/acp-15-11433-2015"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.5194\/gmd-13-5507-2020"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1007\/s00382-021-05722-y"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1051\/0004-6361\/200913856"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1051\/0004-6361\/202346188"},{"key":"ref15\/cit15","unstructured":"Smith, G. P.; Golden, D. M.; Frenklach, M.; Moriarty, N. W.; Eiteneer, B.; Goldenberg, M.; Thomas Bowman, C.; Hanson, R. K.; Song, S.; Gardiner, W. C., Jr.  GRI-Mech 3.0. http:\/\/combustion.berkeley.edu\/gri-mech\/."},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1002\/kin.20802"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1016\/j.combustflame.2023.113239"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1016\/j.combustflame.2019.08.013"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1002\/kin.21719"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/jp500398k"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1038\/nchem.2099"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1039\/D3SC01202F"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00201"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.8b00078"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1002\/tcr.201600043"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-022-00664-x"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1002\/cmtd.202200005"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-022-00616-5"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-021-00550-y"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-016-0125-7"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.26734"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1016\/j.softx.2020.100442"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1039\/D3DD00026E"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1039\/D4DD00087K"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1002\/1097-024X(200009)30:11<1203::AID-SPE338>3.0.CO;2-N"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00866"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1016\/j.biosystems.2023.105001"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1002\/spe.4380211102"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.25080\/TCWV9851"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1021\/acs.energyfuels.7b01202"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1002\/bit.26952"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.3390\/life11111140"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1609\/icwsm.v3i1.13937"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1016\/j.combustflame.2017.02.034"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1016\/j.fuproc.2019.106276"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1134\/S0023158420010048"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.3390\/sym9120309"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1109\/ISSM51728.2020.9377518"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1007\/s11356-023-27086-y"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.7b11009"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.4c00826"},{"key":"ref52\/cit52","unstructured":"SvelteKit. https:\/\/github.com\/sveltejs\/kit."},{"key":"ref53\/cit53","unstructured":"three.js. https:\/\/github.com\/mrdoob\/three.js."},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1038\/324446a0"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0098679"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1021\/ci00057a005"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jchemed.8b00090"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1021\/acs.energyfuels.1c01988"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1021\/acs.energyfuels.9b03695"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1016\/j.energy.2023.1"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1007\/BF01386390"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1039\/D0SC05647B"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.2c01136"},{"key":"ref64\/cit64","doi-asserted-by":"crossref","unstructured":"Kuboth, P.; Meissner, J. A.; Kopp, W. A.; Meisner, J. AUTOGRAPH: Chemical Reaction Networks in 3D, 2024. DOI: 10.5281\/zenodo.14506518.","DOI":"10.1021\/acs.jcim.4c02106"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.4c02106","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.4c02106","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,4,14]],"date-time":"2025-04-14T08:49:23Z","timestamp":1744620563000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.4c02106"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,1,15]]},"references-count":64,"journal-issue":{"issue":"7","published-print":{"date-parts":[[2025,4,14]]}},"alternative-id":["10.1021\/acs.jcim.4c02106"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.4c02106","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,1,15]]}}}