{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,8]],"date-time":"2025-11-08T22:51:30Z","timestamp":1762642290374,"version":"3.37.3"},"reference-count":108,"publisher":"American Chemical Society (ACS)","issue":"3","license":[{"start":{"date-parts":[[2019,12,19]],"date-time":"2019-12-19T00:00:00Z","timestamp":1576713600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2019,12,19]],"date-time":"2019-12-19T00:00:00Z","timestamp":1576713600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2019,12,19]],"date-time":"2019-12-19T00:00:00Z","timestamp":1576713600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100002347","name":"Bundesministerium f??r Bildung und Forschung","doi-asserted-by":"publisher","award":["01IH16008B","01IH16008C","01IH16008E"],"award-info":[{"award-number":["01IH16008B","01IH16008C","01IH16008E"]}],"id":[{"id":"10.13039\/501100002347","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100010668","name":"European Commission","doi-asserted-by":"publisher","award":["686098","731032","760907"],"award-info":[{"award-number":["686098","731032","760907"]}],"id":[{"id":"10.13039\/100010668","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Eng. Data"],"published-print":{"date-parts":[[2020,3,12]]},"DOI":"10.1021\/acs.jced.9b00739","type":"journal-article","created":{"date-parts":[[2019,12,19]],"date-time":"2019-12-19T15:50:24Z","timestamp":1576770624000},"page":"1313-1329","source":"Crossref","is-referenced-by-count":29,"title":["Semantic Interoperability and Characterization of Data Provenance in Computational Molecular Engineering"],"prefix":"10.1021","volume":"65","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-9464-6739","authenticated-orcid":true,"given":"Martin Thomas","family":"Horsch","sequence":"first","affiliation":[{"name":"STFC Daresbury Laboratory, UKRI, Keckwick Ln, Daresbury, Cheshire WA4 4AD, U.K."}]},{"given":"Christoph","family":"Niethammer","sequence":"additional","affiliation":[{"name":"High Performance Computing Center Stuttgart, Nobelstr. 19, 70569 Stuttgart, Germany"}]},{"given":"Gianluca","family":"Boccardo","sequence":"additional","affiliation":[{"name":"Department of Applied Science and Technology, Institute of Chemical Engineering, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino, Italy"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9927-8376","authenticated-orcid":true,"given":"Paola","family":"Carbone","sequence":"additional","affiliation":[{"name":"School of Chemical Engineering and Analytical Science, University of Manchester, Oxford Rd, Manchester M13 9PL, U.K."}]},{"given":"Silvia","family":"Chiacchiera","sequence":"additional","affiliation":[{"name":"STFC Daresbury Laboratory, UKRI, Keckwick Ln, Daresbury, Cheshire WA4 4AD, U.K."}]},{"given":"Mara","family":"Chiricotto","sequence":"additional","affiliation":[{"name":"School of Chemical Engineering and Analytical Science, University of Manchester, Oxford Rd, Manchester M13 9PL, U.K."}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0729-246X","authenticated-orcid":true,"given":"Joshua D.","family":"Elliott","sequence":"additional","affiliation":[{"name":"School of Chemical Engineering and Analytical Science, University of Manchester, Oxford Rd, Manchester M13 9PL, U.K."}]},{"given":"Vladimir","family":"Lobaskin","sequence":"additional","affiliation":[{"name":"School of Physics, University College Dublin, Dublin 4, Ireland"}]},{"given":"Philipp","family":"Neumann","sequence":"additional","affiliation":[{"name":"High Performance Computing, Helmut-Schmidt-Universit\u00e4t, Holstenhofweg 85, 22043 Hamburg, Germany"}]},{"given":"Peter","family":"Schiffels","sequence":"additional","affiliation":[{"name":"Fraunhofer Institute for Manufacturing Technology and Advanced Materials, Wiener Str. 12, 28359 Bremen, Germany"}]},{"given":"Michael A.","family":"Seaton","sequence":"additional","affiliation":[{"name":"STFC Daresbury Laboratory, UKRI, Keckwick Ln, Daresbury, Cheshire WA4 4AD, U.K."}]},{"given":"Ilian T.","family":"Todorov","sequence":"additional","affiliation":[{"name":"STFC Daresbury Laboratory, UKRI, Keckwick Ln, Daresbury, Cheshire WA4 4AD, U.K."}]},{"given":"Jadran","family":"Vrabec","sequence":"additional","affiliation":[{"name":"Thermodynamics and Process Engineering, Technische Universit\u00e4t Berlin, Ernst-Reuter-Platz 1, 10587 Berlin, Germany"}]},{"given":"Welchy Leite","family":"Cavalcanti","sequence":"additional","affiliation":[{"name":"Fraunhofer Institute for Manufacturing Technology and Advanced Materials, Wiener Str. 12, 28359 Bremen, Germany"}]}],"member":"316","published-online":{"date-parts":[[2019,12,19]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1080\/00268979000100341"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1080\/00268979200102111"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1080\/00268970210153772"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2011.04.026"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2014.07.012"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2017.07.025"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/jp012542o"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1016\/j.fluid.2008.02.002"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1016\/j.fluid.2007.10.003"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1080\/00268976.2010.542894"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1002\/aic.12329"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1080\/08927022.2019.1601191"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/jp805584d"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1016\/j.fluid.2009.09.016"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1039\/c3cp43785j"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1016\/j.fluid.2016.07.016"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/ct500169q"},{"key":"ref18\/cit18","doi-asserted-by":"crossref","unstructured":"Eckhardt, W.; Heinecke, A.; Bader, R.; Brehm, M.; Hammer, N.; Huber, H.; Kleinhenz, H.G.; Vrabec, J.; Hasse, H.; Horsch, M.; Bernreuther, M.; Glass, C. W.; Niethammer, C.; Bode, A.; Bungartz, H.J. 591 TFLOPS multi-trillion particles simulation on SuperMUC. Supercomputing \u2013 28th International Supercomputing Conference (ISC 2013). Springer: Heidelberg, Germany, 2013; pp 1\u201312.","DOI":"10.1007\/978-3-642-38750-0_1"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1177\/1094342018819741"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1016\/B978-0-444-63455-9.50028-3"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1002\/cite.201500020"},{"key":"ref22\/cit22","unstructured":"Cavalcanti, W. L. Virtual Materials Marketplace (VIMMP). 2019; http:\/\/www.vimmp.eu\/, date of access: July 25, 2019."},{"key":"ref23\/cit23","unstructured":"Hashibo, A. MarketPlace. 2019; http:\/\/www.the-marketplace-project.eu\/, date of access: July 25, 2019."},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.3139\/104.111502"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1016\/j.ces.2013.05.049"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1016\/j.compchemeng.2013.09.015"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/acs.iecr.7b02539"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1002\/aic.15857"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1002\/cite.201700068"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1002\/cite.201800056"},{"key":"ref31\/cit31","unstructured":"Hasse, H.; Lenhard, J. In  Mathematics as a Tool: Tracing New Roles of Mathematics in the Sciences; Lenhard, J., Carrier, M., Eds. Springer: Cham, 2017; pp 93\u2013115."},{"key":"ref32\/cit32","unstructured":"Lenhard, J.; Hasse, H. In  Technisches Nichtwissen; Friedrich, A., Gehring, P., Hubig, C., Kaminski, A., Nordmann, A., Eds. Nomos: Baden-Baden, Germany, 2017; pp 69\u201384."},{"key":"ref33\/cit33","unstructured":"Schembera, B.; Iglezakis, D. In  Metadata and Semantic Research; Garoufallou, E., Sartori, F., Siatri, R., Zervas, M., Eds. Springer: Cham, 2019; pp 127\u2013132."},{"key":"ref34\/cit34","unstructured":"M\u00fchleisen, H.; Jentzsch, A. In  WWW2011 Workshop on Linked Data on the Web (LDOW); Bizer, C., Heath, T., Berners-Lee, T., Hausenblas, M., Eds. CEUR-WS: Aachen, Germany, 2011; p 3."},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.6084\/m9.figshare.4055538.v2"},{"key":"ref36\/cit36","doi-asserted-by":"crossref","DOI":"10.1201\/9781315380711","volume-title":"Data Stewardship for Open Science","author":"Mons B.","year":"2018"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-017-0242-y"},{"key":"ref38\/cit38","doi-asserted-by":"crossref","DOI":"10.1002\/9781119564034","volume-title":"Enterprise Interoperability","author":"Zelm M.","year":"2018"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1038\/s41746-019-0158-1"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1108\/17440081111165866"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1353\/lib.0.0036"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1016\/S1570-7946(08)80171-X"},{"key":"ref43\/cit43","volume-title":"Semantic Web for the Working Ontologist","author":"Allemang D.","year":"2011","edition":"2"},{"key":"ref44\/cit44","unstructured":"Mc Gurk, S.; Abela, C.; Debattista, J. Towards ontology quality assessment. MEPDaW-LDQ 2017 Joint Proceedings; CEUR-WS: Aachen, Germany, 2017; pp 94\u2013106."},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.5334\/dsj-2019-050"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1016\/j.commatsci.2015.09.013"},{"key":"ref47\/cit47","doi-asserted-by":"crossref","unstructured":"Ribes, A.; Caremoli, C. Salom\u00e9 platform component model for numerical simulation. 31st Annual International Computer Software and Applications Conference, COMPSAC 2007; IEEE Computer Society: Los Alamitos, CA, 2007; pp 553\u2013564.","DOI":"10.1109\/COMPSAC.2007.185"},{"key":"ref48\/cit48","unstructured":"Brush, M. H.; Shefchek, K.; Haendel, M. SEPIO: A semantic model for the integration and analysis of scientific evidence. Proceedings of the Joint International Conference on Biological Ontology and BioCreative; CEUR-WS: Aachen, Germany, 2016."},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1186\/s13326-015-0005-5"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jced.6b00633"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.7b00489"},{"key":"ref52\/cit52","first-page":"125","volume-title":"Programming and Performance Visualization Tools","author":"Shudler S.","year":"2019"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1080\/08927022.2019.1606424"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1016\/S1570-7946(02)80169-9"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1002\/cite.201400009"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1016\/S1570-7946(09)70255-X"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1016\/j.compchemeng.2017.02.004"},{"volume-title":"What Makes a Material Function? Let me Compute the Ways","year":"2017","author":"De Baas A. F.","key":"ref58\/cit58"},{"key":"ref59\/cit59","unstructured":"Materials modelling:\nTerminology, classification and metadata; CEN workshop agreement\n17284, 2018."},{"key":"ref60\/cit60","unstructured":"Taxonda\ndashboard. 2019; http:\/\/emmc.info\/taxonda-dashboard\/, date of access: July 25, 2019."},{"key":"ref61\/cit61","unstructured":"Ghedini, E.; Friis, J.; Schmitz, G. J.; Goldbeck, G. European Materials & Modelling Ontology (EMMO). 2019; http:\/\/github.com\/emmo-repo\/EMMO\/, date of access: July 25, 2019."},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.7717\/peerj-cs.86"},{"key":"ref63\/cit63","unstructured":"Katz, D. S.; Bouquin, D.; Chue Hong, N. P.; Hausman, J.; Jones, C.; Chivvis, D.; Clark, T.; Crosas, M.; Druskat, S.; Fenner, M.; Gillespie, T.; Gonz\u00e1lez Beltr\u00e1n, A.; Gruenpeter, M.; Habermann, T.; Haines, R.; Harrison, M.; Henneken, E.; Hwang, L.; Jones, M. B.; Kelly, A. A.; Kennedy, D. N.; Leinweber, K.; Rios, F.; Robinson, C. B.; Todorov, I. T.; Wu, M.; Zhang, Q. Software Citation Implementation Challenges; 2019; arXiv:1905.08674 [cs.CY]."},{"key":"ref64\/cit64","unstructured":"The CodeMeta\nProject. 2019; https:\/\/codemeta.github.io\/, date of access: July 25, 2019."},{"key":"ref65\/cit65","unstructured":"The Citation\nFile Format (CFF). 2019; https:\/\/citation-file-format.github.io\/, date of access: July 25, 2019."},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1186\/2041-1480-5-25"},{"key":"ref67\/cit67","doi-asserted-by":"crossref","unstructured":"Gil, Y.; Ratnakar, V.; Garijo, D. OntoSoft: Capturing scientific software metadata. Proceedings of the Eighth ACM International Conference on Knowledge Capture (K-CAP). ACM: New York, 2015; p 32.","DOI":"10.1145\/2815833.2816955"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.6b00149"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2016.07.035"},{"key":"ref70\/cit70","unstructured":"Bazhirov, T. Data-centric online ecosystem for digital materials science. 2019, arXiv:1902.10838 [cond-mat.mtrl-sci]."},{"key":"ref71\/cit71","unstructured":"Asuncion, C. H.; van Sunderen, M. J. In  Enterprise Architecture, Integration and Interoperability; Bernus, P., Doumeingts, G., Fox, M., Eds. Springer: Heidelberg, Germany, 2010; pp 164\u2013175."},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1016\/j.infsof.2015.12.013"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1145\/1125944.1125979"},{"key":"ref74\/cit74","doi-asserted-by":"crossref","unstructured":"Weidt Neiva, F.; David, J. M. N.; Braga, R.; Borges, M. R. S.; Campos, F. SM2PIA: A model to support the development of pragmatic interoperability requirements. 2016 IEEE 11th International Conference on Global Software Engineering (ICGSE); IEEE: New York, 2016; pp 119\u2013128.","DOI":"10.1109\/ICGSE.2016.15"},{"key":"ref75\/cit75","unstructured":"Hristova-Bogaerds, D.; Asinari, P.; Konchakova, N.; Bergamasco, L.; Marcos Ramos, A.; Goldbeck, G.; Hoeche, D.; Swang, O.; Schmitz, G.; Klein, P.; Kraft, T.; Macio\u0142, P.; Iannone, M.; de Baas, A. Translators Guide, version 2; 2018; https:\/\/emmc.info\/translators-guide-2\/, date of access: July 25, 2019."},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1007\/s11837-015-1748-2"},{"key":"ref77\/cit77","unstructured":"Oberkampf, H.; Krieg, H.; Senger, C.; Weber, T.; Colsman, W. Allotrope Data Format: Semantic data management in life sciences. 11th International SWAT4HCLS Conference. 2018."},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1002\/cite.201800051"},{"key":"ref79\/cit79","doi-asserted-by":"crossref","unstructured":"De Leenheer, P.; Christiaens, S. Mind the gap! Transcending the tunnel view on ontology engineering. Proceedings of the 2nd International Conference on Pragmatic Web. ACM: New York, 2007; pp 75\u201382.","DOI":"10.1145\/1324237.1324246"},{"key":"ref80\/cit80","unstructured":"Gan, M. Enterprise isomorphic mapping mechanism: Towards ontology interoperability in EIS development. 2009 IEEE International Conference on e-Business Engineering; IEEE Computer Society: Los Alamitos, CA, 2009; pp 340\u2013345."},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1007\/s13347-019-00346-x"},{"key":"ref82\/cit82","unstructured":"Horridge, M. OWLViz. 2010, https:\/\/protegewiki.stanford.edu\/wiki\/OWLViz, date of access: Nov 11, 2019."},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1063\/1.481116"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1021\/j100398a015"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1021\/ja9621760"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1021\/jp003882x"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-016-0179-6"},{"key":"ref88\/cit88","unstructured":"Beauchemin, M. Airflow documentation. 2019; http:\/\/airflow.apache.org\/, date of access: July 25, 2019."},{"key":"ref89\/cit89","doi-asserted-by":"publisher","DOI":"10.1002\/cpe.3505"},{"key":"ref90\/cit90","doi-asserted-by":"publisher","DOI":"10.1088\/1742-6596\/898\/7\/072047"},{"key":"ref91\/cit91","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/bts480"},{"key":"ref92\/cit92","unstructured":"Robinson, A. R.; Haley, P. J.; Lermusiaux, P. F. J.; Leslie, W. G. Predictive skill, predictive capability and predictability in ocean forecasting. OCEANS \u201902 MTS\/IEEE; IEEE: Piscataway, NJ, 2002; pp 787\u2013794."},{"key":"ref93\/cit93","doi-asserted-by":"crossref","unstructured":"Calotoiu, A.; Beckingsale, D.; Earl, C. W.; Hoefler, T.; Karlin, I.; Schulz, M.; Wolf, F. Fast multi-parameter performance modeling. 2016 IEEE International Conference on Cluster Computing; IEEE Computer Society: Los Alamitos, CA, 2016; pp 172\u2013181.","DOI":"10.1109\/CLUSTER.2016.57"},{"key":"ref94\/cit94","doi-asserted-by":"publisher","DOI":"10.1145\/3155284.3018770"},{"key":"ref95\/cit95","doi-asserted-by":"crossref","unstructured":"Cheong, K.; Garijo, D.; Cheung, W. K.; Gil, Y. PSM-Flow: Probabilistic subgraph mining for discovering reusable fragments in workflows. 2018 IEEE\/WIC\/ACM International Conference on Web Intelligence; IEEE: Piscataway, NJ, 2018; pp 166\u2013173.","DOI":"10.1109\/WI.2018.00-93"},{"key":"ref96\/cit96","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jced.5b00266"},{"key":"ref97\/cit97","doi-asserted-by":"publisher","DOI":"10.1080\/08927022.2011.552244"},{"key":"ref98\/cit98","doi-asserted-by":"publisher","DOI":"10.1080\/00268976.2012.695032"},{"key":"ref99\/cit99","unstructured":"Pathak, J.; Caragea, D.; Honavar, V. G. In  Semantic Web and Databases; Bussler, C., Tannen, V., Fundulaki, I., Eds. Springer: Heidelberg, Germany, 2005; pp 41\u201356."},{"key":"ref100\/cit100","unstructured":"Rospocher, M.; Ghidini, C.; Serafini, L. An ontology for the business process modelling notation. Formal Ontology in Information Systems: Proceedings of the Eighth International Conference; IOS Press: Amsterdam, The Netherlands, 2014; pp 133\u2013146."},{"key":"ref101\/cit101","doi-asserted-by":"publisher","DOI":"10.1007\/s13740-018-0099-x"},{"key":"ref102\/cit102","doi-asserted-by":"publisher","DOI":"10.1109\/ACCESS.2019.2893284"},{"key":"ref103\/cit103","volume-title":"Handbook of Graph Grammars and Computing by Graph Transformation","volume":"2","author":"Ehrig H.","year":"1999"},{"key":"ref104\/cit104","doi-asserted-by":"publisher","DOI":"10.1016\/j.jlamp.2019.01.005"},{"key":"ref105\/cit105","doi-asserted-by":"publisher","DOI":"10.1016\/S1571-0661(04)80194-4"},{"key":"ref106\/cit106","unstructured":"Ceusters, W.; Smith, B. Aboutness: Towards foundations for the information artifact ontology. Proceedings of the International Conference on Biomedical Ontology; CEUR-WS: Aachen, Germany, 2015."},{"key":"ref107\/cit107","unstructured":"Hodgson, R.; Keller, P. J.; Hodges, J.; Spivak, J. QUDT ontologies. 2019; http:\/\/www.qudt.org\/, date of access: July 25, 2019."},{"key":"ref108\/cit108","doi-asserted-by":"publisher","DOI":"10.5281\/zenodo.591294"}],"container-title":["Journal of Chemical & Engineering Data"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jced.9b00739","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,26]],"date-time":"2023-04-26T10:08:15Z","timestamp":1682503695000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jced.9b00739"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2019,12,19]]},"references-count":108,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2020,3,12]]}},"alternative-id":["10.1021\/acs.jced.9b00739"],"URL":"https:\/\/doi.org\/10.1021\/acs.jced.9b00739","relation":{},"ISSN":["0021-9568","1520-5134"],"issn-type":[{"type":"print","value":"0021-9568"},{"type":"electronic","value":"1520-5134"}],"subject":[],"published":{"date-parts":[[2019,12,19]]}}}