{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,27]],"date-time":"2026-04-27T09:05:03Z","timestamp":1777280703323,"version":"3.51.4"},"reference-count":56,"publisher":"American Chemical Society (ACS)","issue":"8","license":[{"start":{"date-parts":[[2026,4,14]],"date-time":"2026-04-14T00:00:00Z","timestamp":1776124800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100007869","name":"Secretar?a General de Ciencia y Tecnolog?a , Universidad Nacional del Sur","doi-asserted-by":"publisher","award":["24\/ZN47"],"award-info":[{"award-number":["24\/ZN47"]}],"id":[{"id":"10.13039\/501100007869","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100007869","name":"Secretar?a General de Ciencia y Tecnolog?a , Universidad Nacional del Sur","doi-asserted-by":"publisher","award":["PGI 24\/N061"],"award-info":[{"award-number":["PGI 24\/N061"]}],"id":[{"id":"10.13039\/501100007869","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100014440","name":"Ministerio de Ciencia, Innovaci?n y Universidades","doi-asserted-by":"publisher","award":["PID2022-137331OB-C33"],"award-info":[{"award-number":["PID2022-137331OB-C33"]}],"id":[{"id":"10.13039\/100014440","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002923","name":"Consejo Nacional de Investigaciones Cient?ficas y T?cnicas","doi-asserted-by":"publisher","award":["PIBAA 2872021010 1236CO"],"award-info":[{"award-number":["PIBAA 2872021010 1236CO"]}],"id":[{"id":"10.13039\/501100002923","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002923","name":"Consejo Nacional de Investigaciones Cient?ficas y T?cnicas","doi-asserted-by":"publisher","award":["PIP 112-2021-010060"],"award-info":[{"award-number":["PIP 112-2021-010060"]}],"id":[{"id":"10.13039\/501100002923","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100006668","name":"Fondo para la Investigaci?n Cient?fica y Tecnol?gica","doi-asserted-by":"publisher","award":["PICT-2019-03350"],"award-info":[{"award-number":["PICT-2019-03350"]}],"id":[{"id":"10.13039\/501100006668","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100006668","name":"Fondo para la Investigaci?n Cient?fica y Tecnol?gica","doi-asserted-by":"publisher","award":["PICT-PRH-2021- 0008"],"award-info":[{"award-number":["PICT-PRH-2021- 0008"]}],"id":[{"id":"10.13039\/501100006668","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2026,4,27]]},"DOI":"10.1021\/acs.jcim.6c00118","type":"journal-article","created":{"date-parts":[[2026,4,14]],"date-time":"2026-04-14T09:39:31Z","timestamp":1776159571000},"page":"4472-4483","source":"Crossref","is-referenced-by-count":0,"title":["A Multimodal Sequence-to-Sequence Model for Automatic Assignment of ATC Codes in Drug Discovery and Repurposing"],"prefix":"10.1021","volume":"66","author":[{"given":"Trinidad","family":"Crozes","sequence":"first","affiliation":[{"name":"Institute for Computer Science and Engineering","place":["Bah\u00eda Blanca, Argentina"]},{"name":"UNS-CONICET","place":["Bah\u00eda Blanca, Argentina"]},{"name":"Department of Computer Science and Engineering","place":["Bah\u00eda Blanca, Argentina"]},{"name":"Universidad Nacional del Sur","place":["Bah\u00eda Blanca, Argentina"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Eugenia","family":"Ulzurrun","sequence":"additional","affiliation":[{"name":"Centro de Investigaciones Biol\u00f3gicas Margarita Salas (CIB Margarita Salas-CSIC), C\/Ramiro de Maeztu, 9, 28040 Madrid, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Juan A.","family":"P\u00e1ez","sequence":"additional","affiliation":[{"name":"Instituto de Qu\u00edmica M\u00e9dica (IQM-CSIC), C\/Juan de la Cierva, 3, 28006 Madrid, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9948-2665","authenticated-orcid":true,"given":"Nuria E.","family":"Campillo","sequence":"additional","affiliation":[{"name":"Centro de Investigaciones Biol\u00f3gicas Margarita Salas (CIB Margarita Salas-CSIC), C\/Ramiro de Maeztu, 9, 28040 Madrid, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9021-7566","authenticated-orcid":true,"given":"Axel J.","family":"Soto","sequence":"additional","affiliation":[{"name":"Institute for Computer Science and Engineering","place":["Bah\u00eda Blanca, Argentina"]},{"name":"UNS-CONICET","place":["Bah\u00eda Blanca, Argentina"]},{"name":"Department of Computer Science and Engineering","place":["Bah\u00eda Blanca, Argentina"]},{"name":"Universidad Nacional del Sur","place":["Bah\u00eda Blanca, Argentina"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6923-9592","authenticated-orcid":true,"given":"Ignacio","family":"Ponzoni","sequence":"additional","affiliation":[{"name":"Institute for Computer Science and Engineering","place":["Bah\u00eda Blanca, Argentina"]},{"name":"UNS-CONICET","place":["Bah\u00eda Blanca, Argentina"]},{"name":"Department of Computer Science and Engineering","place":["Bah\u00eda Blanca, Argentina"]},{"name":"Universidad Nacional del Sur","place":["Bah\u00eda Blanca, Argentina"]}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2026,4,14]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"e2415445","DOI":"10.1001\/jamanetworkopen.2024.15445","volume":"7","author":"Sertkaya A.","year":"2024","journal-title":"JAMA Network Open"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.3389\/fmed.2021.760762"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1016\/j.csbj.2020.04.004"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1016\/0020-7101(95)01135-2"},{"key":"ref5\/cit5","unstructured":"WHO Collaborating Centre for Drug Statistics\nMethodology. https:\/\/atcddd.fhi.no\/atc_ddd_methodology\/who_collaborating_centre\/."},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1145\/3699713"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1162\/neco.1997.9.8.1735"},{"key":"ref8\/cit8","unstructured":"Vaswani, A.; Shazeer, N.; Parmar, N.; Uszkoreit, J.; Jones, L.; Gomez, A. N.; Kaiser, \u0141.; Polosukhin, I. Attention is all you need, 2017."},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/ci9000844"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbaf194"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkn307"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btt158"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.2174\/1381612824666181112113438"},{"key":"ref14\/cit14","doi-asserted-by":"crossref","unstructured":"Das, P.; Mazumder, D. H.In\n                      Predicting Anatomical Therapeutic Chemical Drug Classes from 17 Molecules\u2019 Properties of Drugs by Multi-Label Binary Relevance Approach with mlsmote\n                      , Proceedings of the 2021 5th International Conference on Computational Biology and Bioinformatics, 2021; pp 1\u20137.","DOI":"10.1145\/3512452.3512453"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btz757"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btaa166"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btab204"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbab289"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbac346"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btaf184"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkv1277"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1016\/j.compbiomed.2023.107862"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1186\/s12859-025-06102-7"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0035254"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/ci400155x"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1039\/C3MB70490D"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gku477"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btv055"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1016\/j.jbi.2015.09.016"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btw644"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.18632\/oncotarget.17028"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btx278"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1186\/s12859-017-1660-6"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1007\/978-3-319-66939-7_6"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.3389\/fphar.2019.00971"},{"key":"ref36\/cit36","first-page":"117","volume":"1","author":"Nanni L.","year":"2019","journal-title":"Comput. Inf."},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbaa027"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.4236\/abb.2020.115012"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbadis.2020.165910"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1109\/TCBB.2021.3088256"},{"key":"ref41\/cit41","doi-asserted-by":"crossref","unstructured":"Nanni, L.; Lumini, A.; Brahnam, S. Neural networks for anatomical therapeutic chemical (ATC) classification, 2022.","DOI":"10.1108\/ACI-11-2021-0301"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkac297"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.3389\/fphar.2022.907676"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkj067"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1021\/ci3001277"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gky1075"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/28.1.27"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-3-33"},{"key":"ref49\/cit49","unstructured":"Landrum, G. RDKit: Open-source cheminformatics, 2006."},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-018-0258-y"},{"key":"ref51\/cit51","unstructured":"Burns, J. Mordred Community, Version 2.0.6 2024 https:\/\/github.com\/JacksonBurns\/mordred-community."},{"key":"ref52\/cit52","first-page":"2825","volume":"12","author":"Pedregosa F.","year":"2011","journal-title":"J. Mach. Learn. Res."},{"key":"ref53\/cit53","unstructured":"Chollet, F. Keras 2015 https:\/\/keras.io."},{"key":"ref54\/cit54","unstructured":"Sutskever, I.; Vinyals, O.; Le, Q. V. Sequence to sequence learning with neural networks, 2014."},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1609\/aaai.v36i10.21369"},{"key":"ref56\/cit56","doi-asserted-by":"crossref","unstructured":"Cho, K.; Van Merri\u00ebnboer, B.; Gulcehre, C.; Bahdanau, D.; Bougares, F.; Schwenk, H.; Bengio, Y. Learning phrase representations using RNN encoder-decoder for statistical machine translation, 2014.","DOI":"10.3115\/v1\/D14-1179"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.6c00118","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.6c00118","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,4,27]],"date-time":"2026-04-27T08:11:54Z","timestamp":1777277514000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.6c00118"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,4,14]]},"references-count":56,"journal-issue":{"issue":"8","published-print":{"date-parts":[[2026,4,27]]}},"alternative-id":["10.1021\/acs.jcim.6c00118"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.6c00118","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,4,14]]}}}