{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,11]],"date-time":"2026-03-11T05:22:34Z","timestamp":1773206554491,"version":"3.50.1"},"reference-count":33,"publisher":"American Chemical Society (ACS)","issue":"4","license":[{"start":{"date-parts":[[2026,2,12]],"date-time":"2026-02-12T00:00:00Z","timestamp":1770854400000},"content-version":"unspecified","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100017170","name":"Thailand Science Research and Innovation","doi-asserted-by":"publisher","award":["FF- 089\/2567"],"award-info":[{"award-number":["FF- 089\/2567"]}],"id":[{"id":"10.13039\/501100017170","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001659","name":"Deutsche Forschungsgemeinschaft","doi-asserted-by":"publisher","award":["398816777SFB 1375"],"award-info":[{"award-number":["398816777SFB 1375"]}],"id":[{"id":"10.13039\/501100001659","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001659","name":"Deutsche Forschungsgemeinschaft","doi-asserted-by":"publisher","award":["EXC-2111-390814868"],"award-info":[{"award-number":["EXC-2111-390814868"]}],"id":[{"id":"10.13039\/501100001659","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002347","name":"Federal Ministry of Research, Technology and Space","doi-asserted-by":"crossref","award":["13N16292 (ATOMIQS)"],"award-info":[{"award-number":["13N16292 (ATOMIQS)"]}],"id":[{"id":"10.13039\/501100002347","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2026,2,23]]},"DOI":"10.1021\/acs.jcim.5c02100","type":"journal-article","created":{"date-parts":[[2026,2,12]],"date-time":"2026-02-12T10:01:56Z","timestamp":1770890516000},"page":"2017-2029","source":"Crossref","is-referenced-by-count":0,"title":["Chemical Feature Engineering and Defect-Aware Structural Fingerprint Representations for Complex Defects in 2D Materials"],"prefix":"10.1021","volume":"66","author":[{"ORCID":"https:\/\/orcid.org\/0009-0000-0068-6565","authenticated-orcid":true,"given":"Cheewawut","family":"Na Talang","sequence":"first","affiliation":[{"name":"Optical and Quantum Physics Laboratory, Department of Physics, Faculty of Science","place":["Bangkok, Thailand"]},{"name":"Mahidol University","place":["Bangkok, Thailand"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Aniwat","family":"Kesorn","sequence":"additional","affiliation":[{"name":"Optical and Quantum Physics Laboratory, Department of Physics, Faculty of Science","place":["Bangkok, Thailand"]},{"name":"Mahidol University","place":["Bangkok, Thailand"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5936-8032","authenticated-orcid":true,"given":"Chanaprom","family":"Cholsuk","sequence":"additional","affiliation":[{"name":"Department of Computer Engineering, TUM School of Computation, Information and Technology","place":["Munich, Germany"]},{"name":"Technical University of Munich","place":["Munich, Germany"]},{"name":"Munich Center for Quantum Science and Technology (MCQST)","place":["Munich, Germany"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0993-0648","authenticated-orcid":true,"given":"Tobias","family":"Vogl","sequence":"additional","affiliation":[{"name":"Department of Computer Engineering, TUM School of Computation, Information and Technology","place":["Munich, Germany"]},{"name":"Technical University of Munich","place":["Munich, Germany"]},{"name":"Munich Center for Quantum Science and Technology (MCQST)","place":["Munich, Germany"]},{"name":"Abbe Center of Photonics, Institute of Applied Physics","place":["Jena, Germany"]},{"name":"Friedrich Schiller University Jena","place":["Jena, Germany"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Rutchapon","family":"Hunkao","sequence":"additional","affiliation":[{"name":"School of Physics","place":["Dublin, Ireland"]},{"name":"Trinity College","place":["Dublin, Ireland"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Asawin","family":"Sinsarp","sequence":"additional","affiliation":[{"name":"Optical and Quantum Physics Laboratory, Department of Physics, Faculty of Science","place":["Bangkok, Thailand"]},{"name":"Mahidol University","place":["Bangkok, Thailand"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sujin","family":"Suwanna","sequence":"additional","affiliation":[{"name":"Optical and Quantum Physics Laboratory, Department of Physics, Faculty of Science","place":["Bangkok, Thailand"]},{"name":"Mahidol University","place":["Bangkok, Thailand"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Suraphong","family":"Yuma","sequence":"additional","affiliation":[{"name":"Optical and Quantum Physics Laboratory, Department of Physics, Faculty of Science","place":["Bangkok, Thailand"]},{"name":"Mahidol University","place":["Bangkok, Thailand"]}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2026,2,12]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-019-10632-z"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1038\/s41699-023-00392-2"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1038\/s41699-020-0136-0"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1038\/nnano.2015.242"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1063\/5.0147560"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/acsphotonics.2c00631"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.3390\/nano12142427"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.4c03404"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1039\/D5TC02805A"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.3c01475"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevMaterials.6.L042201"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1088\/1361-6633\/ab6310"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemmater.2c01333"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-matsci-080921-085947"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1039\/D1CP02066H"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1038\/s43588-023-00495-2"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1038\/s41524-016-0001-z"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/acsnano.0c05267"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1038\/s41524-023-01062-z"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemmater.9b01294"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1038\/s41524-023-01163-9"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1002\/adfm.202507734"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1180\/minmag.2013.077.3.05"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1016\/j.commatsci.2012.10.028"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1080\/14686996.2017.1378060"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevMaterials.2.083801"},{"key":"ref27\/cit27","first-page":"1","volume":"31","author":"Prokhorenkova L.","year":"2018","journal-title":"Adv. Neural Inf. Process. Syst."},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1038\/s41699-023-00369-1"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1016\/j.commatsci.2018.05.018"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.89.094104"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1038\/npjcompumats.2016.28"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1038\/s41592-019-0686-2"},{"key":"ref33\/cit33","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.5c02100","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5c02100","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,3,10]],"date-time":"2026-03-10T07:36:37Z","timestamp":1773128197000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.5c02100"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,2,12]]},"references-count":33,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2026,2,23]]}},"alternative-id":["10.1021\/acs.jcim.5c02100"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.5c02100","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,2,12]]}}}