{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,8]],"date-time":"2026-07-08T08:08:51Z","timestamp":1783498131391,"version":"3.55.0"},"reference-count":53,"publisher":"American Chemical Society (ACS)","issue":"11","license":[{"start":{"date-parts":[[2019,10,4]],"date-time":"2019-10-04T00:00:00Z","timestamp":1570147200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2019,10,4]],"date-time":"2019-10-04T00:00:00Z","timestamp":1570147200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2019,10,4]],"date-time":"2019-10-04T00:00:00Z","timestamp":1570147200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/100006108","name":"National Center for Advancing Translational Sciences","doi-asserted-by":"publisher","award":["1ZIATR000058-03"],"award-info":[{"award-number":["1ZIATR000058-03"]}],"id":[{"id":"10.13039\/100006108","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2019,11,25]]},"DOI":"10.1021\/acs.jcim.9b00526","type":"journal-article","created":{"date-parts":[[2019,10,4]],"date-time":"2019-10-04T15:45:42Z","timestamp":1570203942000},"page":"4613-4624","source":"Crossref","is-referenced-by-count":74,"title":["Novel Consensus Architecture To Improve Performance of Large-Scale Multitask Deep Learning QSAR Models"],"prefix":"10.1021","volume":"59","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-2466-1711","authenticated-orcid":true,"given":"Alexey V.","family":"Zakharov","sequence":"first","affiliation":[{"name":"National Center for Advancing Translational Sciences (NCATS), National Institutes of Health, 9800 Medical Center Drive, Rockville, Maryland 20850, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tongan","family":"Zhao","sequence":"additional","affiliation":[{"name":"National Center for Advancing Translational Sciences (NCATS), National Institutes of Health, 9800 Medical Center Drive, Rockville, Maryland 20850, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Dac-Trung","family":"Nguyen","sequence":"additional","affiliation":[{"name":"National Center for Advancing Translational Sciences (NCATS), National Institutes of Health, 9800 Medical Center Drive, Rockville, Maryland 20850, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tyler","family":"Peryea","sequence":"additional","affiliation":[{"name":"National Center for Advancing Translational Sciences (NCATS), National Institutes of Health, 9800 Medical Center Drive, Rockville, Maryland 20850, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Timothy","family":"Sheils","sequence":"additional","affiliation":[{"name":"National Center for Advancing Translational Sciences (NCATS), National Institutes of Health, 9800 Medical Center Drive, Rockville, Maryland 20850, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7350-1402","authenticated-orcid":true,"given":"Adam","family":"Yasgar","sequence":"additional","affiliation":[{"name":"National Center for Advancing Translational Sciences (NCATS), National Institutes of Health, 9800 Medical Center Drive, Rockville, Maryland 20850, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ruili","family":"Huang","sequence":"additional","affiliation":[{"name":"National Center for Advancing Translational Sciences (NCATS), National Institutes of Health, 9800 Medical Center Drive, Rockville, Maryland 20850, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Noel","family":"Southall","sequence":"additional","affiliation":[{"name":"National Center for Advancing Translational Sciences (NCATS), National Institutes of Health, 9800 Medical Center Drive, Rockville, Maryland 20850, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Anton","family":"Simeonov","sequence":"additional","affiliation":[{"name":"National Center for Advancing Translational Sciences (NCATS), National Institutes of Health, 9800 Medical Center Drive, Rockville, Maryland 20850, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2019,10,4]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ddtec.2006.12.003"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkt1206"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkr777"},{"key":"ref4\/cit4","first-page":"217","volume-title":"Annual Reports in Computational Chemistry","volume":"4","author":"Bolton E. E.","year":"2008"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/ci300435j"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1080\/1062936X.2015.1078407"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.5b00144"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/ci8002914"},{"key":"ref9\/cit9","author":"Ramsundar B.","year":"2015","journal-title":"Massively Multitask Networks for Drug Discovery"},{"key":"ref10\/cit10","author":"Kearnes S.","year":"2016","journal-title":"Modeling Industrial ADMET Data with Multitask Networks"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1039\/C8SC00148K"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.7b00146"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.7b00087"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1039\/C4MD00216D"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1039\/C4IB00175C"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btv529"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1039\/C2MB25110H"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-017-0232-0"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/ci400737s"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/ci700443v"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/acs.molpharmaceut.5b00762"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.7b00244"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.7b00166"},{"key":"ref24\/cit24","unstructured":"Toxicology in the 21st Century (Tox21) https:\/\/ncats.nih.gov\/tox21 (accessed Feb 25, 2019)."},{"key":"ref25\/cit25","unstructured":"Tox21 Data Browser https:\/\/tripod.nih.gov\/tox21 (accessed Feb 25, 2019)."},{"key":"ref26\/cit26","unstructured":"RDKit http:\/\/www.rdkit.org\/ (accessed\nApr 27, 2016)."},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/ci100050t"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/ci050413p"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/ci00046a002"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/jm050468i"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbw071"},{"key":"ref32\/cit32","unstructured":"scikit-learn: machine learning in Python \u2014 scikit-learn 0.20.2\ndocumentation https:\/\/scikit-learn.org\/stable\/ (accessed Jan 8, 2019)."},{"key":"ref33\/cit33","unstructured":"Keras Documentation https:\/\/keras.io\/ (accessed Mar 3, 2017)."},{"key":"ref34\/cit34","unstructured":"TensorFlow https:\/\/www.tensorflow.org\/ (accessed Feb 14, 2018)."},{"key":"ref35\/cit35","author":"Kingma D. P.","year":"2014","journal-title":"Adam: A Method for Stochastic Optimization"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1126\/sciadv.aap7885"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/ci500747n"},{"key":"ref38\/cit38","author":"Dahl G. E.","year":"2014","journal-title":"Multi-Task Neural Networks for QSAR Predictions"},{"key":"ref39\/cit39","volume-title":"Self-Normalizing Neural Networks","author":"Klambauer G.","year":"2017"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1016\/j.patrec.2005.10.010"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.3389\/fenvs.2015.00085"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.3389\/fenvs.2015.00080"},{"key":"ref43\/cit43","unstructured":"Tox21 Data Challenge 2014 https:\/\/tripod.nih.gov\/tox21\/challenge\/ (accessed Nov 28, 2017)."},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1016\/S1093-3263(01)00123-1"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1289\/ehp.1510267"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1002\/minf.201000151"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1039\/C7SC02664A"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1021\/ci800151m"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1021\/ci100253r"},{"key":"ref50\/cit50","author":"Jastrz\u0328bski S.","year":"2016","journal-title":"Learning to SMILE(S)"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-016-9938-8"},{"key":"ref52\/cit52","author":"Bahdanau D.","year":"2014","journal-title":"Neural Machine Translation by Jointly Learning to Align and Translate"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.3390\/biom8040131"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.9b00526","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,26]],"date-time":"2023-04-26T22:24:14Z","timestamp":1682547854000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.9b00526"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2019,10,4]]},"references-count":53,"journal-issue":{"issue":"11","published-print":{"date-parts":[[2019,11,25]]}},"alternative-id":["10.1021\/acs.jcim.9b00526"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.9b00526","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2019,10,4]]}}}