{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,27]],"date-time":"2026-06-27T08:40:26Z","timestamp":1782549626348,"version":"3.54.5"},"reference-count":42,"publisher":"American Chemical Society (ACS)","issue":"22","license":[{"start":{"date-parts":[[2022,10,31]],"date-time":"2022-10-31T00:00:00Z","timestamp":1667174400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2022,10,31]],"date-time":"2022-10-31T00:00:00Z","timestamp":1667174400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2022,10,31]],"date-time":"2022-10-31T00:00:00Z","timestamp":1667174400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/100006227","name":"Lawrence Livermore National Laboratory","doi-asserted-by":"publisher","award":["DE-AC52-07NA27344"],"award-info":[{"award-number":["DE-AC52-07NA27344"]}],"id":[{"id":"10.13039\/100006227","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.2c00875","type":"journal-article","created":{"date-parts":[[2022,10,31]],"date-time":"2022-10-31T14:47:24Z","timestamp":1667227644000},"page":"5435-5445","source":"Crossref","is-referenced-by-count":66,"title":["Representing Polymers as Periodic Graphs with Learned Descriptors for Accurate Polymer Property Predictions"],"prefix":"10.1021","volume":"62","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-4273-1974","authenticated-orcid":true,"given":"Evan R.","family":"Antoniuk","sequence":"first","affiliation":[{"name":"Materials Science Division, Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, California94550-5507, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Peggy","family":"Li","sequence":"additional","affiliation":[{"name":"Global Security Computing Applications Division, Computing Directorate, Lawrence Livermore National Laboratory, Livermore, California94550-5507, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Bhavya","family":"Kailkhura","sequence":"additional","affiliation":[{"name":"Machine Intelligence Group\/Center for Applied Scientific Computing, Computing Directorate, Lawrence Livermore National Laboratory, Livermore, California94550-5507, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2705-3263","authenticated-orcid":true,"given":"Anna M.","family":"Hiszpanski","sequence":"additional","affiliation":[{"name":"Materials Science Division, Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, California94550-5507, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2022,10,31]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.3390\/polym11010143"},{"key":"ref2\/cit2","first-page":"1","volume-title":"Tribology and Interface Engineering Series","volume":"55","author":"Briscoe B. J.","year":"2008"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1038\/ncomms5845"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/acs.molpharmaceut.8b00312"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1002\/adma.201903912"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/acs.macromol.9b01697"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1016\/j.matpr.2021.02.730"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.1c01031"},{"key":"ref9\/cit9","author":"Gasteiger J.","year":"2022","journal-title":"Phys. Stat"},{"key":"ref10\/cit10","author":"Gasteiger J.","year":"2022","journal-title":"Phys. Stat"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.120.145301"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.9b00237"},{"key":"ref13\/cit13","volume-title":"Discovery of Materials with Extreme Work Functions by High-Throughput Density Functional Theory and Machine Learning","author":"Schindler P.","year":"2020"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c01318"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1016\/j.mser.2020.100595"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/acspolymersau.1c00035"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202009759"},{"key":"ref18\/cit18","unstructured":"BigSMILES: A Structurally-Based Line Notation\nfor Describing\nMacromolecules. ACS Central Science. 2022.https:\/\/pubs.acs.org\/doi\/10.1021\/acscentsci.9b00476. (accessed\n10 06, 2022)."},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/acsomega.0c04499"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1002\/polb.24117"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1016\/j.heliyon.2020.e05055"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2020.107796"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.8b02913"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1016\/j.patter.2021.100238"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1063\/1.5099132"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1706.08566"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemmater.9b01294"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/acspolymersau.1c00050"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1039\/D2SC02839E"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1088\/2632-2153\/ac545e"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1038\/sdata.2016.12"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1038\/s41524-019-0203-2"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1126\/sciadv.aaz4301"},{"key":"ref34\/cit34","unstructured":"Landrum, G. RDKit: Open-Source Cheminformatics, 2006."},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1021\/c160017a018"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/ci100050t"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.0c01865"},{"key":"ref38\/cit38","doi-asserted-by":"crossref","DOI":"10.1201\/9780203910115","volume-title":"Prediction of Polymer Properties","author":"Bicerano J.","year":"2002"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/ma00009a072"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1016\/S0032-3861(00)00445-6"},{"key":"ref41\/cit41","doi-asserted-by":"crossref","unstructured":"Otsuka, S.; Kuwajima, I.; Hosoya, J.; Xu, Y.; Yamazaki, M.PoLyInfo: Polymer Database for Polymeric Materials Design International Conference on Emerging Intelligent Data and Web Technologies, 2011, pp 22\u201329.","DOI":"10.1109\/EIDWT.2011.13"},{"key":"ref42\/cit42","first-page":"2825","volume":"12","author":"Pedregosa F.","year":"2011","journal-title":"J. Mach. Learn. Res."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.2c00875","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.2c00875","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,25]],"date-time":"2023-04-25T10:32:14Z","timestamp":1682418734000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.2c00875"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,10,31]]},"references-count":42,"journal-issue":{"issue":"22","published-print":{"date-parts":[[2022,11,28]]}},"alternative-id":["10.1021\/acs.jcim.2c00875"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.2c00875","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2022,10,31]]}}}