{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,7,7]],"date-time":"2025-07-07T05:47:27Z","timestamp":1751867247303,"version":"3.37.3"},"reference-count":42,"publisher":"American Chemical Society (ACS)","issue":"18","license":[{"start":{"date-parts":[[2023,9,8]],"date-time":"2023-09-08T00:00:00Z","timestamp":1694131200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2023,9,8]],"date-time":"2023-09-08T00:00:00Z","timestamp":1694131200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2023,9,8]],"date-time":"2023-09-08T00:00:00Z","timestamp":1694131200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100003725","name":"National Research Foundation of Korea","doi-asserted-by":"publisher","award":["2021M3A7C208974513"],"award-info":[{"award-number":["2021M3A7C208974513"]}],"id":[{"id":"10.13039\/501100003725","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2023,9,25]]},"DOI":"10.1021\/acs.jcim.3c00935","type":"journal-article","created":{"date-parts":[[2023,9,8]],"date-time":"2023-09-08T20:31:35Z","timestamp":1694205095000},"page":"5755-5763","source":"Crossref","is-referenced-by-count":9,"title":["Design of New Inorganic Crystals with the Desired Composition Using Deep Learning"],"prefix":"10.1021","volume":"63","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-8696-6823","authenticated-orcid":true,"given":"Seunghee","family":"Han","sequence":"first","affiliation":[{"name":"Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology, Daejeon 34141, Republic of Korea"}]},{"ORCID":"https:\/\/orcid.org\/0009-0008-1517-8086","authenticated-orcid":true,"given":"Jaewan","family":"Lee","sequence":"additional","affiliation":[{"name":"LG AI Research, ISC, 30, Magokjungang 10-ro, Gangseogu, Seoul 07796, Republic of Korea"}]},{"given":"Sehui","family":"Han","sequence":"additional","affiliation":[{"name":"LG AI Research, ISC, 30, Magokjungang 10-ro, Gangseogu, Seoul 07796, Republic of Korea"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0357-5729","authenticated-orcid":true,"given":"Seyed Mohamad","family":"Moosavi","sequence":"additional","affiliation":[{"name":"Department of Chemical Engineering & Applied Chemistry, University of Toronto, Ontario M5S 3E5, Canada"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3844-8789","authenticated-orcid":true,"given":"Jihan","family":"Kim","sequence":"additional","affiliation":[{"name":"Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology, Daejeon 34141, Republic of Korea"}]},{"ORCID":"https:\/\/orcid.org\/0009-0008-1350-2057","authenticated-orcid":true,"given":"Changyoung","family":"Park","sequence":"additional","affiliation":[{"name":"LG AI Research, ISC, 30, Magokjungang 10-ro, Gangseogu, Seoul 07796, Republic of Korea"}]}],"member":"316","published-online":{"date-parts":[[2023,9,8]]},"reference":[{"doi-asserted-by":"publisher","key":"ref1\/cit1a","DOI":"10.3389\/fenrg.2014.00025"},{"doi-asserted-by":"publisher","key":"ref1\/cit1b","DOI":"10.1039\/b313412c"},{"doi-asserted-by":"publisher","key":"ref2\/cit2","DOI":"10.1007\/s10853-012-6424-0"},{"doi-asserted-by":"publisher","key":"ref3\/cit3","DOI":"10.1021\/acs.jcim.0c00464"},{"doi-asserted-by":"publisher","key":"ref4\/cit4","DOI":"10.1103\/RevModPhys.71.1253"},{"doi-asserted-by":"publisher","key":"ref5\/cit5a","DOI":"10.1021\/acs.chemmater.5b00875"},{"doi-asserted-by":"publisher","key":"ref5\/cit5b","DOI":"10.1016\/j.apsusc.2019.144489"},{"doi-asserted-by":"publisher","key":"ref5\/cit5c","DOI":"10.1016\/j.cattod.2019.12.030"},{"doi-asserted-by":"publisher","key":"ref6\/cit6","DOI":"10.1107\/S0108768102006948"},{"doi-asserted-by":"publisher","key":"ref7\/cit7","DOI":"10.1007\/s11837-013-0755-4"},{"doi-asserted-by":"publisher","key":"ref8\/cit8","DOI":"10.1063\/1.4812323"},{"doi-asserted-by":"publisher","key":"ref9\/cit9a","DOI":"10.1016\/j.ssi.2012.02.014"},{"doi-asserted-by":"publisher","key":"ref9\/cit9b","DOI":"10.1039\/C9CP03240A"},{"doi-asserted-by":"publisher","key":"ref9\/cit9c","DOI":"10.1002\/adma.202104081"},{"doi-asserted-by":"publisher","key":"ref9\/cit9d","DOI":"10.1016\/j.jallcom.2018.09.370"},{"doi-asserted-by":"publisher","key":"ref10\/cit10","DOI":"10.1016\/j.chempr.2016.09.010"},{"doi-asserted-by":"publisher","key":"ref11\/cit11a","DOI":"10.1039\/D0SC00594K"},{"doi-asserted-by":"publisher","key":"ref11\/cit11b","DOI":"10.1126\/sciadv.aax9324"},{"unstructured":"Goodfellow, I. J.; Pouget-Abadie, J.; Mirza, M.; Xu, B.; Warde-Farley, D.; Ozair, S.; Courville, A.; Bengio, Y. Generative adversarial networks (2014), arXiv preprint arXiv:1406.2661. arXiv.org e-Print archive, 2014. https:\/\/doi.org\/10.48550\/arXiv.1406.2661.","key":"ref12\/cit12"},{"unstructured":"Kingma, D. P.; Welling, M. Auto-encoding variational bayes, arXiv preprint arXiv:1312.6114. arXiv.org e-Print archive, 2013. https:\/\/doi.org\/10.48550\/arXiv.1312.6114.","key":"ref13\/cit13"},{"doi-asserted-by":"publisher","key":"ref14\/cit14","DOI":"10.1016\/j.matt.2019.08.017"},{"doi-asserted-by":"publisher","key":"ref15\/cit15","DOI":"10.1021\/acscentsci.0c00426"},{"doi-asserted-by":"publisher","key":"ref16\/cit16","DOI":"10.1016\/j.matt.2021.11.032"},{"unstructured":"Xie, T.; Fu, X.; Ganea, O.E.; Barzilay, R.; Jaakkola, T. Crystal diffusion variational autoencoder for periodic material generation, arXiv preprint arXiv:2110.06197. arXiv.org e-Print archive, 2021. https:\/\/doi.org\/10.48550\/arXiv.2110.06197.","key":"ref17\/cit17"},{"unstructured":"Ramesh, A.; Dhariwal, P.; Nichol, A.; Chu, C.; Chen, M. Hierarchical text-conditional image generation with clip latents, arXiv preprint arXiv:2204.06125. arXiv.org e-Print archive, 2022. https:\/\/arxiv.org\/abs\/2204.06125.","key":"ref18\/cit18"},{"key":"ref19\/cit19","first-page":"36479","volume":"35","author":"Saharia C.","year":"2022","journal-title":"Adv. Neural Inf. Process. Syst."},{"doi-asserted-by":"crossref","unstructured":"Rombach, R.; Blattmann, A.; Lorenz, D.; Esser, P.; Ommer, B. In  High-Resolution Image Synthesis with Latent Diffusion Models, IEEE\/CVF Conference on Computer Vision and Pattern Recognition (CVPR); IEEE, 2022; pp 10684\u201310695.","key":"ref20\/cit20","DOI":"10.1109\/CVPR52688.2022.01042"},{"unstructured":"aXu, M.; Yu, L.; Song, Y.; Shi, C.; Ermon, S.; Tang, J. Geodiff: A geometric diffusion model for molecular conformation generation, arXiv preprint arXiv:2203.02923. arXiv.org e-Print archive, 2022. https:\/\/doi.org\/10.48550\/arXiv.2203.02923.","key":"ref21\/cit21a"},{"key":"ref21\/cit21b","first-page":"8867","author":"Hoogeboom E.","year":"2022","journal-title":"Int. Conf. Mach. Learn."},{"unstructured":"Corso, G.; St\u00e4rk, H.; Jing, B.; Barzilay, R.; Jaakkola, T. Diffdock: Diffusion steps, twists, and turns for molecular docking, arXiv preprint arXiv:2210.01776. arXiv.org e-Print archive, 2022. https:\/\/doi.org\/10.48550\/arXiv.2210.01776.","key":"ref22\/cit22"},{"doi-asserted-by":"publisher","key":"ref23\/cit23","DOI":"10.1038\/s41524-022-00923-3"},{"doi-asserted-by":"publisher","key":"ref24\/cit24","DOI":"10.1103\/PhysRevMaterials.7.014007"},{"doi-asserted-by":"publisher","key":"ref25\/cit25","DOI":"10.1038\/nature22374"},{"doi-asserted-by":"publisher","key":"ref26\/cit26","DOI":"10.1038\/s41524-022-00757-z"},{"doi-asserted-by":"publisher","key":"ref27\/cit27","DOI":"10.1021\/acscentsci.7b00572"},{"key":"ref28\/cit28","first-page":"11918","volume":"32","author":"Song Y.","year":"2019","journal-title":"Proc. Int. Conf. Neural Inf. Process. Syst."},{"doi-asserted-by":"publisher","key":"ref29\/cit29","DOI":"10.1016\/j.commatsci.2012.10.028"},{"doi-asserted-by":"publisher","key":"ref30\/cit30","DOI":"10.1080\/14786440109462720"},{"doi-asserted-by":"publisher","key":"ref31\/cit31","DOI":"10.1103\/PhysRevB.54.11169"},{"doi-asserted-by":"publisher","key":"ref32\/cit32","DOI":"10.1103\/PhysRevB.59.1758"},{"doi-asserted-by":"publisher","key":"ref33\/cit33","DOI":"10.1103\/PhysRevB.52.R5467"},{"doi-asserted-by":"publisher","key":"ref34\/cit34","DOI":"10.1103\/PhysRevB.84.045115"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.3c00935","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.3c00935","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,9,25]],"date-time":"2023-09-25T13:11:13Z","timestamp":1695647473000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.3c00935"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,9,8]]},"references-count":42,"journal-issue":{"issue":"18","published-print":{"date-parts":[[2023,9,25]]}},"alternative-id":["10.1021\/acs.jcim.3c00935"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.3c00935","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"type":"print","value":"1549-9596"},{"type":"electronic","value":"1549-960X"}],"subject":[],"published":{"date-parts":[[2023,9,8]]}}}