{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,22]],"date-time":"2026-06-22T08:53:22Z","timestamp":1782118402923,"version":"3.54.5"},"reference-count":53,"publisher":"American Chemical Society (ACS)","issue":"12","license":[{"start":{"date-parts":[[2026,6,10]],"date-time":"2026-06-10T00:00:00Z","timestamp":1781049600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/100006151","name":"Basic Energy Sciences","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100006151","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2026,6,22]]},"DOI":"10.1021\/acs.jcim.6c00680","type":"journal-article","created":{"date-parts":[[2026,6,10]],"date-time":"2026-06-10T15:49:23Z","timestamp":1781106563000},"page":"6983-6991","source":"Crossref","is-referenced-by-count":0,"title":["Discovering CO\n                    <sub>2<\/sub>\n                    \u2013Reactive Carbanions via Property-Guided Generative AI"],"prefix":"10.1021","volume":"66","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-2676-926X","authenticated-orcid":true,"given":"Bo","family":"Li","sequence":"first","affiliation":[{"name":"Department of Chemical and Biomolecular Engineering","place":["Nashville, United States"]},{"name":"Vanderbilt University","place":["Nashville, United States"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5167-0731","authenticated-orcid":true,"given":"De-en","family":"Jiang","sequence":"additional","affiliation":[{"name":"Department of Chemical and Biomolecular Engineering","place":["Nashville, United States"]},{"name":"Vanderbilt University","place":["Nashville, United States"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,6,10]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.7b00403"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1016\/j.rser.2022.112902"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1016\/j.mtener.2024.101740"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1038\/s41563-021-01054-8"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1039\/D4CS00972J"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.5c00329"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.2c05019"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1557\/s43577-022-00315-4"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1016\/j.gce.2021.12.001"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.7b00435"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.4c09933"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.4c04482"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.2c09189"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1039\/D5DD00020C"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.3389\/fchem.2021.783993"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202504934"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.5c01203"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.5c00641"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1038\/s43588-023-00532-0"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-025-01028-x"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-024-46569-1"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1038\/s43588-023-00563-7"},{"key":"ref23\/cit23","unstructured":"Xu, M.; Yu, L.; Song, Y.; Shi, C.; Ermon, S.; Tang, J. Geodiff: A Geometric Diffusion Model for Molecular Conformation Generation. 2022, arXiv:2203.02923. arXiv.org e-Printarchive. https:\/\/arxiv.org\/abs\/2203.02923."},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-025-59439-1"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-019-0397-9"},{"key":"ref26\/cit26","series-title":"Drug Discovery","first-page":"2323","volume-title":"Proceedings of the 35th International Conference on Machine Learning","author":"Jin W.","year":"2018"},{"key":"ref27\/cit27","unstructured":"Jin, W.; Barzilay, R.; Jaakkola, T. In\n                      Hierarchical Generation of Molecular Graphs using Structural Motifs\n                      ; Proceedings of the 37th International Conference on Machine Learning PMLR, 2020; pp 4839\u20134848."},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/acscentsci.7b00572"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1002\/minf.202400227"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/jacsau.5c00242"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1016\/j.xcrp.2025.102665"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.9b00237"},{"key":"ref33\/cit33","unstructured":"Mayr, H. O.; Armin, R. Mayr\u2019s Reactivity Database. https:\/\/www.cup.lmu.de\/oc\/mayr\/reaktionsdatenbank2\/. (accessed January 11, 2025)."},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkr777"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1002\/anie.199409381"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1016\/j.tet.2015.05.055"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/ja306522b"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.202300162"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.3c01250"},{"key":"ref40\/cit40","unstructured":"Landrum, G.; Tosco, P.; Kelley, B.; Rodriguez, R.; Cosgrove, D.; Vianello, R.; sriniker; Gedeck, P.; Jones, G.; Kawashima, E. RDKit: Open-source cheminformatics. https:\/\/www.rdkit.org."},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1063\/5.0197592"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b01176"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.38.3098"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.37.785"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1039\/b508541a"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1063\/1.3484283"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21759"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1063\/1.3382344"},{"key":"ref49\/cit49","unstructured":"Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Petersson, G. A.; Nakatsuji, H.\n                      Gaussian 16 Rev. C.01\n                      Wallingford, CT, 2016."},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540030212"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.12688\/f1000research.22758.1"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201200497"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1021\/jp810292n"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.6c00680","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.6c00680","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,6,22]],"date-time":"2026-06-22T08:40:45Z","timestamp":1782117645000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.6c00680"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,6,10]]},"references-count":53,"journal-issue":{"issue":"12","published-print":{"date-parts":[[2026,6,22]]}},"alternative-id":["10.1021\/acs.jcim.6c00680"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.6c00680","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,6,10]]}}}