{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,7]],"date-time":"2026-03-07T00:10:15Z","timestamp":1772842215992,"version":"3.50.1"},"reference-count":41,"publisher":"American Chemical Society (ACS)","issue":"6","license":[{"start":{"date-parts":[[2020,5,7]],"date-time":"2020-05-07T00:00:00Z","timestamp":1588809600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2020,5,7]],"date-time":"2020-05-07T00:00:00Z","timestamp":1588809600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2020,5,7]],"date-time":"2020-05-07T00:00:00Z","timestamp":1588809600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/100000066","name":"National Institute of Environmental Health Sciences","doi-asserted-by":"publisher","award":["P01ES022841"],"award-info":[{"award-number":["P01ES022841"]}],"id":[{"id":"10.13039\/100000066","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000066","name":"National Institute of Environmental Health Sciences","doi-asserted-by":"publisher","award":["R01ES027051"],"award-info":[{"award-number":["R01ES027051"]}],"id":[{"id":"10.13039\/100000066","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000092","name":"U.S. National Library of Medicine","doi-asserted-by":"publisher","award":["K01LM012381"],"award-info":[{"award-number":["K01LM012381"]}],"id":[{"id":"10.13039\/100000092","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000139","name":"U.S. Environmental Protection Agency","doi-asserted-by":"publisher","award":["RD 83543301"],"award-info":[{"award-number":["RD 83543301"]}],"id":[{"id":"10.13039\/100000139","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2020,6,22]]},"DOI":"10.1021\/acs.jcim.9b01096","type":"journal-article","created":{"date-parts":[[2020,5,7]],"date-time":"2020-05-07T18:51:24Z","timestamp":1588877484000},"page":"2718-2727","source":"Crossref","is-referenced-by-count":42,"title":["Applications of Machine Learning to In Silico Quantification of Chemicals without Analytical Standards"],"prefix":"10.1021","volume":"60","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-3402-7565","authenticated-orcid":true,"given":"Dimitri","family":"Abrahamsson","sequence":"first","affiliation":[{"name":"Program on Reproductive Health and the Environment, Department of Obstetrics and Gynecology, University of California, San Francisco, California 94158, United States"}]},{"given":"June-Soo","family":"Park","sequence":"additional","affiliation":[{"name":"Environmental Chemistry Laboratory, California Department of Toxic Substances Control, Berkeley, California 94710, United States"}]},{"given":"Randolph R.","family":"Singh","sequence":"additional","affiliation":[{"name":"Luxembourg Centre for Systems Biomedicine, University of Luxembourg, 4365 Esch-sur-Alzette, Luxembourg"}]},{"given":"Marina","family":"Sirota","sequence":"additional","affiliation":[{"name":"Bakar Computational Health Sciences Institute, University of California, San Francisco, California 94158, United States"},{"name":"Department of Pediatrics, University of California, San Francisco, California 94158, United States"}]},{"given":"Tracey J.","family":"Woodruff","sequence":"additional","affiliation":[{"name":"Program on Reproductive Health and the Environment, Department of Obstetrics and Gynecology, University of California, San Francisco, California 94158, United States"}]}],"member":"316","published-online":{"date-parts":[[2020,5,7]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1016\/C2013-0-06870-3"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1158\/1055-9965.EPI-05-0456"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1016\/j.envint.2015.12.008"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/acs.est.7b05767"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/es400482g"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/acs.est.7b04781"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1016\/j.aca.2017.03.054"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1093\/toxsci\/kfv198"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/acs.analchem.9b03481"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/ac00070a001"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/ac802272u"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/ac902856t"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-018-0258-y"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1039\/cs9932200073"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1016\/j.chroma.2003.12.004"},{"key":"ref16\/cit16","unstructured":"UFZ - LSER Database https:\/\/www.ufz.de\/index.php?en=31698&contentonly=1&m=0&lserd_datamvc]=Public\/start[ (accessed Feb 17, 2020)."},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/acs.est.5b02483"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1016\/j.fluid.2005.04.006"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/es203183z"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jced.6b00196"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/es405091h"},{"key":"ref22\/cit22","unstructured":"9 Applications\nof Machine Learning from Day-to-Day Life; Daffodil Software, https:\/\/medium.com\/app-affairs\/9-applications-of-machine-learning-from-day-to-day-life-112a47a429d0 (accessed 2020-02-17)."},{"key":"ref23\/cit23","unstructured":"Google AI https:\/\/ai.google\/ (accessed 2020-02-17)."},{"key":"ref24\/cit24","unstructured":"TensorFlow https:\/\/www.tensorflow.org\/ (accessed 2020-02-17)."},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1002\/qsar.200960053"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/acs.iecr.8b04584"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1039\/C9GC01968E"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.5b01456"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1039\/C9CP01883B"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2018.05.010"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1007\/s00216-018-1526-4"},{"key":"ref32\/cit32","unstructured":"scikit-learn: machine learning\nin Python; scikit-learn 0.22.1 documentation; https:\/\/scikit-learn.org\/stable\/ (accessed 2020-02-20)."},{"key":"ref33\/cit33","unstructured":"Welcome to Python.org; https:\/\/www.python.org\/ (accessed 2020-02-20)."},{"key":"ref34\/cit34","unstructured":"ChemMine Tools https:\/\/chemminetools.ucr.edu\/ (accessed 2020-02-17)."},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btn307"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/ci700157b"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/ac404066v"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1007\/s13361-015-1219-6"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1016\/j.chroma.2003.12.022"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1002\/rcm.1139"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1016\/j.clinbiochem.2004.11.007"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.9b01096","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.9b01096","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,12,11]],"date-time":"2024-12-11T16:03:57Z","timestamp":1733933037000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.9b01096"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2020,5,7]]},"references-count":41,"journal-issue":{"issue":"6","published-print":{"date-parts":[[2020,6,22]]}},"alternative-id":["10.1021\/acs.jcim.9b01096"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.9b01096","relation":{"has-preprint":[{"id-type":"doi","id":"10.26434\/chemrxiv.10263296.v1","asserted-by":"object"}]},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2020,5,7]]}}}