{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,13]],"date-time":"2026-04-13T17:10:17Z","timestamp":1776100217496,"version":"3.50.1"},"reference-count":33,"publisher":"American Chemical Society (ACS)","issue":"11","license":[{"start":{"date-parts":[[2016,10,16]],"date-time":"2016-10-16T00:00:00Z","timestamp":1476576000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/pubs.acs.org\/page\/policy\/authorchoice_termsofuse.html"}],"funder":[{"DOI":"10.13039\/100000054","name":"National Cancer Institute","doi-asserted-by":"publisher","award":["HHSN261200800001E"],"award-info":[{"award-number":["HHSN261200800001E"]}],"id":[{"id":"10.13039\/100000054","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2016,11,28]]},"DOI":"10.1021\/acs.jcim.6b00338","type":"journal-article","created":{"date-parts":[[2016,9,26]],"date-time":"2016-09-26T15:23:17Z","timestamp":1474903397000},"page":"2149-2161","source":"Crossref","is-referenced-by-count":42,"title":["Experimental and Chemoinformatics Study of Tautomerism in a Database of Commercially Available Screening Samples"],"prefix":"10.1021","volume":"56","author":[{"given":"Laura","family":"Guasch","sequence":"first","affiliation":[{"name":"Chemical\rBiology Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health, Frederick, Maryland 21702, United States"}]},{"given":"Waruna","family":"Yapamudiyansel","sequence":"additional","affiliation":[{"name":"Chemical\rBiology Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health, Frederick, Maryland 21702, United States"}]},{"given":"Megan L.","family":"Peach","sequence":"additional","affiliation":[{"name":"Basic\rScience Program, Chemical Biology Laboratory, Leidos Biomedical Inc., Frederick National Laboratory for Cancer Research, Frederick, Maryland 21702, United States"}]},{"given":"James A.","family":"Kelley","sequence":"additional","affiliation":[{"name":"Chemical\rBiology Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health, Frederick, Maryland 21702, United States"}]},{"suffix":"Jr.","given":"Joseph J.","family":"Barchi","sequence":"additional","affiliation":[{"name":"Chemical\rBiology Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health, Frederick, Maryland 21702, United States"}]},{"given":"Marc C.","family":"Nicklaus","sequence":"additional","affiliation":[{"name":"Chemical\rBiology Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health, Frederick, Maryland 21702, United States"}]}],"member":"316","published-online":{"date-parts":[[2016,10,16]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1021\/ja02227a002"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1021\/ci00007a012"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1021\/ci00057a005"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-5-7"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-015-0068-4"},{"key":"ref6\/cit6","unstructured":"Chemical Abstracts Service (CAS).https:\/\/www.cas.org\/(accessed Mar 29, 2016) ."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"123","DOI":"10.1016\/B978-0-444-53632-7.01111-4","volume-title":"Comprehensive Biomedical Physics","volume":"6","author":"Peach M. L.","year":"2014"},{"key":"ref8\/cit8","unstructured":"Representation of Chemical Compounds. InHandbook of Chemoinformatics;Gasteiger, J., Ed.Wiley-VCH Verlag GmbH, 2008; pp21\u201326."},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201402133"},{"key":"ref10\/cit10","unstructured":"ChemSpider.http:\/\/www.chemspider.com\/(accessed Mar 29, 2016) ."},{"key":"ref11\/cit11","unstructured":"Beilstein Database.https:\/\/www.reaxys.com\/(accessed Mar 29, 2016) ."},{"key":"ref12\/cit12","unstructured":"PubChem.http:\/\/pubchem.ncbi.nlm.nih.gov\/(accessed Mar 29, 2016) ."},{"key":"ref13\/cit13","unstructured":"ChEMBL Database.https:\/\/www.ebi.ac.uk\/chembl\/(accessed Mar 29, 2016) ."},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-010-9329-5"},{"key":"ref15\/cit15","volume-title":"Ring-Chain Tautomerism","author":"Valters R.","year":"2013"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-010-9338-4"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-010-9346-4"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1081\/RRS-120026975"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-4-11"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/acs.joc.5b01370"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/ci500363p"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/ci025582d"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/ci00017a013"},{"key":"ref24\/cit24","unstructured":"Xemistry Chemoinformatics.http:\/\/www.xemistry.com\/(accessed Mar 29, 2016) ."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"103","DOI":"10.1002\/9783527658824.ch5","volume-title":"Tautomerism: Methods and Theories","author":"Kleinpeter E.","year":"2013"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/ci1001179"},{"key":"ref27\/cit27","unstructured":"IUPAC|International Union of Pure and Applied Chemistry Project Details.http:\/\/iupac.org\/projects\/project-details\/?project_nr=2012-023-2-800(accessed Apr 11, 2016) ."},{"key":"ref28\/cit28","unstructured":"Aldrich Market Select.https:\/\/www.aldrichmarketselect.com\/(accessed Mar 29, 2016) ."},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1080\/10629360701843540"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/ci060109b"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1039\/c39760000734"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1177\/1087057103252617"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1177\/1087057109336954"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.6b00338","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.6b00338","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,25]],"date-time":"2023-04-25T16:46:11Z","timestamp":1682441171000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.6b00338"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2016,10,16]]},"references-count":33,"journal-issue":{"issue":"11","published-print":{"date-parts":[[2016,11,28]]}},"alternative-id":["10.1021\/acs.jcim.6b00338"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.6b00338","relation":{"has-review":[{"id-type":"doi","id":"10.3410\/f.726778215.793524372","asserted-by":"object"}]},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2016,10,16]]}}}