{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,29]],"date-time":"2026-07-29T18:23:08Z","timestamp":1785349388339,"version":"3.55.0"},"reference-count":50,"publisher":"American Chemical Society (ACS)","issue":"11","license":[{"start":{"date-parts":[[2023,5,24]],"date-time":"2023-05-24T00:00:00Z","timestamp":1684886400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100004281","name":"Narodowe Centrum Nauki","doi-asserted-by":"publisher","award":["2020\/37\/N\/ST6\/02728"],"award-info":[{"award-number":["2020\/37\/N\/ST6\/02728"]}],"id":[{"id":"10.13039\/501100004281","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100007088","name":"Uniwersytet Jagiellonski w Krakowie","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100007088","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001870","name":"Fundacja na rzecz Nauki Polskiej","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100001870","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2023,6,12]]},"DOI":"10.1021\/acs.jcim.2c01355","type":"journal-article","created":{"date-parts":[[2023,5,24]],"date-time":"2023-05-24T16:18:41Z","timestamp":1684945121000},"page":"3238-3247","source":"Crossref","is-referenced-by-count":33,"title":["Generative Models Should at Least Be Able to Design Molecules That Dock Well: A New Benchmark"],"prefix":"10.1021","volume":"63","author":[{"given":"Tobiasz","family":"Ciepli\u0144ski","sequence":"first","affiliation":[{"name":"Faculty of Mathematics and Computer Science, Jagiellonian University, \u0141ojasiewicza 6, 30-348 Krak\u00f3w, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6053-0028","authenticated-orcid":true,"given":"Tomasz","family":"Danel","sequence":"additional","affiliation":[{"name":"Faculty of Mathematics and Computer Science, Jagiellonian University, \u0141ojasiewicza 6, 30-348 Krak\u00f3w, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2891-5603","authenticated-orcid":true,"given":"Sabina","family":"Podlewska","sequence":"additional","affiliation":[{"name":"Maj Institute of Pharmacology, Polish Academy of Sciences, Sm\u0229tna 12, 31-343 Krak\u00f3w, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4138-1818","authenticated-orcid":true,"given":"Stanis\u0142aw","family":"Jastrz\u0229bski","sequence":"additional","affiliation":[{"name":"Faculty of Mathematics and Computer Science, Jagiellonian University, \u0141ojasiewicza 6, 30-348 Krak\u00f3w, Poland"},{"name":"Molecule.one, Al. Jerozolimskie 96, 00-807 Warsaw, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2023,5,24]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1124\/pr.112.007336"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1039\/C9ME00039A"},{"key":"ref3\/cit3","unstructured":"Kusner, M. J.; Paige, B.; Hern\u00e1ndez-Lobato, J. M. Grammar variational autoencoder.  International Conference on Machine Learning; PMLR, 2017; pp 1945\u20131954."},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/acscentsci.7b00512"},{"key":"ref5\/cit5","unstructured":"Jin, W.; Barzilay, R.; Jaakkola, T. Junction Tree Variational Autoencoder for Molecular Graph Generation.  International Conference on Machine Learning; PMLR, 2018; pp 2328\u20132337."},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1098\/rspb.1989.0015"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1038\/nrd1799"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-009-9291-2"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201909989"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1002\/adfm.201501919"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/acscentsci.8b00213"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.2102.09548"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2018.01.039"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c01496"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1039\/D1SC02783B"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.1c01334"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-021-00516-0"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.2111.04107"},{"key":"ref20\/cit20","first-page":"7924","volume":"34","author":"Yang S.","year":"2021","journal-title":"Advances in Neural Information Processing Systems"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1039\/D1SC05976A"},{"key":"ref22\/cit22","first-page":"6229","volume":"34","author":"Luo S.","year":"2021","journal-title":"Advances in Neural Information Processing Systems"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.2205.07309"},{"key":"ref24\/cit24","first-page":"12325","volume":"35","author":"Fu T.","year":"2022","journal-title":"Advances in Neural Information Processing Systems"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/ci300604z"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.2006.16955"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.2106.04011"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1109\/CVPR.2009.5206848"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.18653\/v1\/W18-5446"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201814681"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1806.02473"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-019-0404-1"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1610.02415"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1021\/ci990307l"},{"key":"ref35\/cit35","unstructured":"Landrum, G. RDKit: Open-Source Cheminformatics Software; 2016; https:\/\/www.rdkit.org\/."},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.8b00839"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1038\/nchem.1243"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1809.02032"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/ci200274q"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1003571"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1002\/minf.201681031"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.2174\/09298673113209990001"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkw1074"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0155183"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21334"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.5b00559"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1021\/ci100050t"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-017-0235-x"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1021\/acscentsci.7b00572"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1312.6114"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.2206.12411"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.2c01355","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.2c01355","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,6,12]],"date-time":"2023-06-12T08:12:58Z","timestamp":1686557578000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.2c01355"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,5,24]]},"references-count":50,"journal-issue":{"issue":"11","published-print":{"date-parts":[[2023,6,12]]}},"alternative-id":["10.1021\/acs.jcim.2c01355"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.2c01355","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,5,24]]}}}