{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,14]],"date-time":"2026-07-14T16:34:49Z","timestamp":1784046889420,"version":"3.55.0"},"reference-count":124,"publisher":"Wiley","issue":"4","license":[{"start":{"date-parts":[[2023,1,31]],"date-time":"2023-01-31T00:00:00Z","timestamp":1675123200000},"content-version":"am","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"},{"start":{"date-parts":[[2023,1,31]],"date-time":"2023-01-31T00:00:00Z","timestamp":1675123200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/100000001","name":"National Science Foundation","doi-asserted-by":"publisher","award":["HRD\u20101736136"],"award-info":[{"award-number":["HRD\u20101736136"]}],"id":[{"id":"10.13039\/100000001","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["advanced.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Advanced Intelligent Systems"],"published-print":{"date-parts":[[2023,4]]},"abstract":"<jats:sec><jats:label\/><jats:p>In the recent decades, with rapid development in computing power and algorithms, machine learning (ML) has exhibited its enormous potential in new polymer discovery. Herein, the history of ML is described and the basic process of ML accelerated polymer discovery is summarized. Next, the four steps in this process are reviewed, that is, dataset selection, fingerprinting, ML framework, and new polymer generation. Finally, a couple of main challenges for ML accelerated polymer discovery is presented and the outlooks in this field are prospected. It is expected that this review can service as a useful tool for the people who just step into this field and deepen the understanding for the people who are already in this field.<\/jats:p><\/jats:sec>","DOI":"10.1002\/aisy.202200243","type":"journal-article","created":{"date-parts":[[2023,1,31]],"date-time":"2023-01-31T23:13:27Z","timestamp":1675206807000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":82,"title":["The Rise of Machine Learning in Polymer Discovery"],"prefix":"10.1002","volume":"5","author":[{"given":"Cheng","family":"Yan","sequence":"first","affiliation":[{"name":"Department of Mechanical &amp; Industrial Engineering Louisiana State University  Baton Rouge LA 70803 USA"},{"name":"Department of Mechanical Engineering Southern University and A&amp;M College  Baton Rouge LA 70813 USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7004-6659","authenticated-orcid":false,"given":"Guoqiang","family":"Li","sequence":"additional","affiliation":[{"name":"Department of Mechanical &amp; Industrial Engineering Louisiana State University  Baton Rouge LA 70803 USA"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2023,1,31]]},"reference":[{"key":"e_1_2_6_2_1","unstructured":"A.Gauss J.Hill Perthes et Besser1809 p.7."},{"key":"e_1_2_6_3_1","volume-title":"Nouvelles M\u00b4ethodes Pour La D\u00b4etermination Des Orbites Des Com`etes","author":"Legendre A. M.","year":"1805"},{"key":"e_1_2_6_4_1","doi-asserted-by":"publisher","DOI":"10.1147\/rd.33.0210"},{"key":"e_1_2_6_5_1","unstructured":"B.Pandolfini Kasparov and Deep Blue: The Historic Chess Match Between Man and Machine https:\/\/www.chessgames.com\/perl\/chess.pl?pid=29912&pid2=15940 1997."},{"key":"e_1_2_6_6_1","doi-asserted-by":"publisher","DOI":"10.1038\/323533a0"},{"key":"e_1_2_6_7_1","doi-asserted-by":"publisher","DOI":"10.1162\/neco.1989.1.4.541"},{"key":"e_1_2_6_8_1","unstructured":"Artificial intelligence: Go master Lee Se-dol wins against AlphaGo program2016 https:\/\/www.bbc.com\/news\/technology-35797102(accessed: March)."},{"key":"e_1_2_6_9_1","doi-asserted-by":"crossref","unstructured":"A.Tejero-de-Pablos Y.Nakashima T.Sato N.Yokoya inIEEE ICME 2016 IEEE Piscataway NJ2016.","DOI":"10.1186\/s13640-016-0120-y"},{"key":"e_1_2_6_10_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.matpr.2021.06.236"},{"key":"e_1_2_6_11_1","doi-asserted-by":"crossref","unstructured":"C.Yan X.Li G.Li inInt. Conf. on Computer Science & Education IEEE Lancaster 2021 pp.653\u2013666.","DOI":"10.1109\/ICCSE51940.2021.9569708"},{"key":"e_1_2_6_12_1","doi-asserted-by":"publisher","DOI":"10.1021\/ci00024a003"},{"key":"e_1_2_6_13_1","doi-asserted-by":"publisher","DOI":"10.1016\/0098-1354(93)E0023-3"},{"key":"e_1_2_6_14_1","doi-asserted-by":"publisher","DOI":"10.1007\/s12221-010-0757-6"},{"key":"e_1_2_6_15_1","doi-asserted-by":"publisher","DOI":"10.1038\/sdata.2016.12"},{"key":"e_1_2_6_16_1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1903376116"},{"key":"e_1_2_6_17_1","doi-asserted-by":"publisher","DOI":"10.1002\/inf2.12167"},{"key":"e_1_2_6_18_1","doi-asserted-by":"publisher","DOI":"10.1002\/pi.6345"},{"key":"e_1_2_6_19_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.mser.2020.100595"},{"key":"e_1_2_6_20_1","doi-asserted-by":"publisher","DOI":"10.3389\/fchem.2021.820417"},{"key":"e_1_2_6_21_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41578-021-00282-3"},{"key":"e_1_2_6_22_1","doi-asserted-by":"publisher","DOI":"10.1021\/acsmacrolett.7b00228"},{"key":"e_1_2_6_23_1","doi-asserted-by":"publisher","DOI":"10.1049\/nde2.12029"},{"key":"e_1_2_6_24_1","doi-asserted-by":"publisher","DOI":"10.1021\/acspolymersau.1c00035"},{"key":"e_1_2_6_25_1","first-page":"1","volume-title":"Encyclopedia of Materials: Plastics and Polymers","author":"Yan C.","year":"2021"},{"key":"e_1_2_6_26_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.aat2663"},{"key":"e_1_2_6_27_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.addr.2020.11.009"},{"key":"e_1_2_6_28_1","doi-asserted-by":"publisher","DOI":"10.1002\/adts.202100565"},{"key":"e_1_2_6_29_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.1c01031"},{"key":"e_1_2_6_30_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.patter.2021.100225"},{"key":"e_1_2_6_31_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41524-019-0203-2"},{"key":"e_1_2_6_32_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-019-13796-w"},{"key":"e_1_2_6_33_1","doi-asserted-by":"crossref","unstructured":"R. B.Tchoua K.Chard D. J.Audus L. T.Ward J.Lequieu J. J.De Pablo I. T.Foster Proc. - 13th IEEE Int. Conf. eScience eScience 2017 IEEE Piscataway NJ2017 p.109.","DOI":"10.1109\/eScience.2017.23"},{"key":"e_1_2_6_34_1","unstructured":"National Institute for Materials Science 2017."},{"key":"e_1_2_6_35_1","doi-asserted-by":"crossref","unstructured":"S.Otsuka I.Kuwajima J.Hosoya Y.Xu M.Yamazaki inProc. - 2011 Int. Conf. Emerg. Intell. Data Web Technol. EIDWT 2011 IEEE Piscataway NJ2011 pp.22\u201329.","DOI":"10.1109\/EIDWT.2011.13"},{"key":"e_1_2_6_36_1","unstructured":"National Institute for Materials Science NIMS Materials Database https:\/\/mits.nims.go.jp\/en\/ 2017."},{"key":"e_1_2_6_37_1","unstructured":"The Center for Hierarchical Materials Design(CHiMaD) Polymer Property Predictor and Database https:\/\/pppdb.uchicago.edu\/ 2019."},{"key":"e_1_2_6_38_1","first-page":"588","volume":"106","author":"CAS","year":"2018","journal-title":"J. Med. Lib. Assoc."},{"key":"e_1_2_6_39_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.1212648"},{"key":"e_1_2_6_40_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cej.2021.129132"},{"key":"e_1_2_6_41_1","doi-asserted-by":"publisher","DOI":"10.1021\/acsami.0c18852"},{"key":"e_1_2_6_42_1","doi-asserted-by":"publisher","DOI":"10.1021\/acsami.9b03092"},{"key":"e_1_2_6_43_1","doi-asserted-by":"publisher","DOI":"10.1021\/acssuschemeng.9b05198"},{"key":"e_1_2_6_44_1","unstructured":"L. B.Vernon H. M.Vernon US2234993A 1941."},{"key":"e_1_2_6_45_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41560-020-00770-w"},{"key":"e_1_2_6_46_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-021-27746-y"},{"key":"e_1_2_6_47_1","doi-asserted-by":"publisher","DOI":"10.1021\/acsami.1c20947"},{"key":"e_1_2_6_48_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.9b00807"},{"key":"e_1_2_6_49_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.commatsci.2020.110067"},{"key":"e_1_2_6_50_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.polymer.2020.123351"},{"key":"e_1_2_6_51_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.polymer.2020.122341"},{"key":"e_1_2_6_52_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemmater.7b03500"},{"key":"e_1_2_6_53_1","doi-asserted-by":"publisher","DOI":"10.1007\/s00396-009-2035-y"},{"key":"e_1_2_6_54_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijheatmasstransfer.2020.120381"},{"key":"e_1_2_6_55_1","doi-asserted-by":"publisher","DOI":"10.1021\/ci010062o"},{"key":"e_1_2_6_56_1","doi-asserted-by":"publisher","DOI":"10.1021\/cr040426m"},{"key":"e_1_2_6_57_1","doi-asserted-by":"publisher","DOI":"10.1038\/srep42669"},{"key":"e_1_2_6_58_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.polymer.2020.123319"},{"key":"e_1_2_6_59_1","doi-asserted-by":"publisher","DOI":"10.1021\/ci00062a008"},{"key":"e_1_2_6_60_1","doi-asserted-by":"publisher","DOI":"10.1021\/ci00057a005"},{"key":"e_1_2_6_61_1","doi-asserted-by":"publisher","DOI":"10.1021\/ed060p192"},{"key":"e_1_2_6_62_1","doi-asserted-by":"publisher","DOI":"10.1021\/ci000108y"},{"key":"e_1_2_6_63_1","doi-asserted-by":"publisher","DOI":"10.1021\/acscentsci.9b00476"},{"key":"e_1_2_6_64_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41524-019-0263-3"},{"key":"e_1_2_6_65_1","doi-asserted-by":"crossref","unstructured":"D.Rogers M.Hahn2010 50 742.","DOI":"10.1021\/ci100050t"},{"key":"e_1_2_6_66_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemmater.1c02061"},{"key":"e_1_2_6_67_1","doi-asserted-by":"publisher","DOI":"10.1021\/acscentsci.0c00979"},{"key":"e_1_2_6_68_1","doi-asserted-by":"publisher","DOI":"10.1038\/srep20952"},{"key":"e_1_2_6_69_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.92.014106"},{"key":"e_1_2_6_70_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41524-020-00388-2"},{"key":"e_1_2_6_71_1","doi-asserted-by":"publisher","DOI":"10.1126\/sciadv.abc6216"},{"key":"e_1_2_6_72_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-021-22437-0"},{"key":"e_1_2_6_73_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.9b00587"},{"key":"e_1_2_6_74_1","doi-asserted-by":"publisher","DOI":"10.1039\/D2SC02839E"},{"key":"e_1_2_6_75_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.polymer.2022.124577"},{"key":"e_1_2_6_76_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.8b02913"},{"key":"e_1_2_6_77_1","doi-asserted-by":"publisher","DOI":"10.1039\/D1ME00160D"},{"key":"e_1_2_6_78_1","doi-asserted-by":"publisher","DOI":"10.1088\/2632-2153\/ac545e"},{"key":"e_1_2_6_79_1","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.1c08181"},{"key":"e_1_2_6_80_1","doi-asserted-by":"publisher","DOI":"10.1002\/9780470512517"},{"key":"e_1_2_6_81_1","doi-asserted-by":"publisher","DOI":"10.1007\/BF00344251"},{"key":"e_1_2_6_82_1","unstructured":"G. B.Goh C.Siegel A.Vishnu N. O.Hodas N.Baker arXiv:1706.066892017 p.1."},{"key":"e_1_2_6_83_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-021-04230-7"},{"key":"e_1_2_6_84_1","doi-asserted-by":"publisher","DOI":"10.1021\/acscentsci.6b00367"},{"key":"e_1_2_6_85_1","doi-asserted-by":"publisher","DOI":"10.1039\/C9SC04026A"},{"key":"e_1_2_6_86_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-016-0008-z"},{"key":"e_1_2_6_87_1","doi-asserted-by":"publisher","DOI":"10.1002\/adma.202201809"},{"key":"e_1_2_6_88_1","doi-asserted-by":"publisher","DOI":"10.1162\/neco.1997.9.8.1735"},{"key":"e_1_2_6_89_1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1918696117"},{"key":"e_1_2_6_90_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c01157"},{"key":"e_1_2_6_91_1","first-page":"65","volume":"8","author":"Belson W. A.","year":"1959","journal-title":"J. R. Stat. Soc. C"},{"key":"e_1_2_6_92_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41524-019-0209-9"},{"key":"e_1_2_6_93_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.polymer.2021.123558"},{"key":"e_1_2_6_94_1","doi-asserted-by":"publisher","DOI":"10.1021\/acsnano.0c08549"},{"key":"e_1_2_6_95_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemmater.0c03332"},{"key":"e_1_2_6_96_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41524-020-0294-9"},{"key":"e_1_2_6_97_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.0c00708"},{"key":"e_1_2_6_98_1","doi-asserted-by":"publisher","DOI":"10.1126\/sciadv.aaz4301"},{"key":"e_1_2_6_99_1","doi-asserted-by":"publisher","DOI":"10.1002\/adhm.202270051"},{"key":"e_1_2_6_100_1","doi-asserted-by":"publisher","DOI":"10.1002\/mats.202100010"},{"key":"e_1_2_6_101_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.macromol.2c00245"},{"key":"e_1_2_6_102_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.9b01147"},{"key":"e_1_2_6_103_1","unstructured":"D. P.Kingma M.Welling inProc. 2nd Int. Conf. on Learning Representations Banff2013 pp.1\u201314."},{"key":"e_1_2_6_104_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.neucom.2019.10.123"},{"key":"e_1_2_6_105_1","first-page":"1","volume":"11","author":"Lee J. W.","year":"2020","journal-title":"Sci. Rep."},{"key":"e_1_2_6_106_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules25153446"},{"key":"e_1_2_6_107_1","doi-asserted-by":"publisher","DOI":"10.1021\/acscentsci.7b00572"},{"key":"e_1_2_6_108_1","unstructured":"I.Goodfellow J.Pouget-Abadie M.Mirza B.Xu D.Warde-Farley S.Ozair A.Courville Y.Bengio inAdvances in Neural Information Processing Systems: Annual Conf. on Neural Information Processing Systems 2014 Montreal 2014."},{"key":"e_1_2_6_109_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.commatsci.2021.110278"},{"key":"e_1_2_6_110_1","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-019-0397-9"},{"key":"e_1_2_6_111_1","volume-title":"Adaptation in Natural and Artificial Systems: An Introductory Analysis With Applications To Biology, Control, and Artificial Intelligence","author":"Holland J. H.","year":"1975"},{"key":"e_1_2_6_112_1","volume-title":"Bio-Inspired Algorithms: Principles, Implementation, And Applications To Wireless Communication","author":"Swayamsiddha S.","year":"2020"},{"key":"e_1_2_6_113_1","unstructured":"J.Kennedy R.Eberhart inProc. IEEE Int. Conf. Neural Networks IEEE Piscataway NJ1995 pp.1942\u20131948."},{"key":"e_1_2_6_114_1","unstructured":"J.Kennedy inProc. IEEE Int. Conf. on Evolutionary Computation IEEE Piscataway NJ1997 pp.303\u2013308."},{"key":"e_1_2_6_115_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10586-019-02983-5"},{"key":"e_1_2_6_116_1","first-page":"125","volume":"15","author":"Metropolis N.","year":"1987","journal-title":"Los Alamos Sci."},{"key":"e_1_2_6_117_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-018-37186-2"},{"key":"e_1_2_6_118_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-018-03094-2"},{"key":"e_1_2_6_119_1","unstructured":"E.Callaway \u2018The entire protein universe\u2019: AI predicts shape of nearly every known protein2022 https:\/\/www.nature.com\/articles\/d41586-022-02083-2(accessed: July)."},{"key":"e_1_2_6_120_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cma.2021.113933"},{"key":"e_1_2_6_121_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cma.2016.02.001"},{"key":"e_1_2_6_122_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijplas.2020.102852"},{"key":"e_1_2_6_123_1","unstructured":"G.Marcus Artificial General Intelligence Is Not as Imminent as You Might Think2022 https:\/\/www.scientificamerican.com\/article\/artificial-general-intelligence-is-not-as-imminent-as-you-might-think1\/(accessed: July)."},{"key":"e_1_2_6_124_1","doi-asserted-by":"publisher","DOI":"10.1039\/D2SM00452F"},{"key":"e_1_2_6_125_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2017.01.022"}],"container-title":["Advanced Intelligent Systems"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/aisy.202200243","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/full-xml\/10.1002\/aisy.202200243","content-type":"application\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/advanced.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/aisy.202200243","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/advanced.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/aisy.202200243","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,7]],"date-time":"2025-10-07T16:08:33Z","timestamp":1759853313000},"score":1,"resource":{"primary":{"URL":"https:\/\/advanced.onlinelibrary.wiley.com\/doi\/10.1002\/aisy.202200243"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,1,31]]},"references-count":124,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2023,4]]}},"alternative-id":["10.1002\/aisy.202200243"],"URL":"https:\/\/doi.org\/10.1002\/aisy.202200243","archive":["Portico"],"relation":{},"ISSN":["2640-4567","2640-4567"],"issn-type":[{"value":"2640-4567","type":"print"},{"value":"2640-4567","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,1,31]]},"assertion":[{"value":"2022-07-30","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2023-01-31","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}],"article-number":"2200243"}}