{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,10]],"date-time":"2026-06-10T11:43:25Z","timestamp":1781091805091,"version":"3.54.1"},"reference-count":53,"publisher":"American Chemical Society (ACS)","issue":"9","license":[{"start":{"date-parts":[[2021,9,3]],"date-time":"2021-09-03T00:00:00Z","timestamp":1630627200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2021,9,3]],"date-time":"2021-09-03T00:00:00Z","timestamp":1630627200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2021,9,3]],"date-time":"2021-09-03T00:00:00Z","timestamp":1630627200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2022,5,9]]},"DOI":"10.1021\/acs.jcim.1c00640","type":"journal-article","created":{"date-parts":[[2021,9,3]],"date-time":"2021-09-03T17:51:08Z","timestamp":1630691468000},"page":"2133-2150","source":"Crossref","is-referenced-by-count":53,"title":["Maximum Common Substructure Searching in Combinatorial Make-on-Demand Compound Spaces"],"prefix":"10.1021","volume":"62","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-7089-4842","authenticated-orcid":true,"given":"Robert","family":"Schmidt","sequence":"first","affiliation":[{"name":"Universit\u00e4t Hamburg, ZBH\u2212Center for Bioinformatics, Bundesstra\u00dfe 43, 20146 Hamburg, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5087-8730","authenticated-orcid":true,"given":"Raphael","family":"Klein","sequence":"additional","affiliation":[{"name":"BioSolveIT GmbH, An der Ziegelei 79, 53757 Sankt Augustin, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9553-6531","authenticated-orcid":true,"given":"Matthias","family":"Rarey","sequence":"additional","affiliation":[{"name":"Universit\u00e4t Hamburg, ZBH\u2212Center for Bioinformatics, Bundesstra\u00dfe 43, 20146 Hamburg, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2021,9,3]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1023\/A:1021271615909"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.5"},{"key":"ref3\/cit3","unstructured":"Daylight\nChemical Information Systems Inc. https:\/\/www.daylight.com\/dayhtml\/doc\/theory\/theory.smarts.html (accessed on 2021-05-28)."},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1093\/comjnl\/45.6.631"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c00741"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1145\/362342.362367"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/jm040213p"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btn186"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1016\/S0304-3975(00)00286-3"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/ci980044f"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/ci2001023"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.5b00036"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-5-S1-O6"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/ci100050t"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1016\/j.ymeth.2014.08.005"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c00850"},{"key":"ref17\/cit17","unstructured":"Enamine\nLtd. REALSpace_19bn-2021-04.space. https:\/\/www.biosolveit.de\/infiniSee\/#realspace (accessed on 2021-05-28)."},{"key":"ref18\/cit18","unstructured":"OTAVA CHEMICALS MB CHEMriya_11bn-2021-05.space. https:\/\/www.biosolveit.de\/infiniSee\/#chemriya (accessed on 2021-05-28)."},{"key":"ref19\/cit19","unstructured":"WuXi LabNetwork, GalaXi_2.1bn-2020-11.space. https:\/\/www.biosolveit.de\/infiniSee\/#galaxi (accessed on 2021-05-28)."},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1038\/s41586-019-0917-9"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c00675"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1023\/A:1011144622059"},{"key":"ref23\/cit23","unstructured":"Enamine Ltd. https:\/\/enamine.net\/ (accessed on 2021-05-28)."},{"key":"ref24\/cit24","unstructured":"OTAVA CHEMICALS MB. https:\/\/www.otavachemicals.com\/ (accessed on 2021-05-28)."},{"key":"ref25\/cit25","unstructured":"WuXi LabNetwork. https:\/\/www.labnetwork.com\/ (accessed on 2021-05-28)."},{"key":"ref26\/cit26","unstructured":"BioSolveIT GmbH. https:\/\/biosolveit.de (accessed\non 2021-05-28)."},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1098-1128(199601)16:1<3::AID-MED1>3.0.CO;2-6"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2019.02.013"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1023\/A:1008068904628"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.3390\/molecules24173096"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-2-S1-O9"},{"key":"ref32\/cit32","unstructured":"BioSolveIT\nGmbH KnowledgeSpace_290tr_2019-05.space. https:\/\/www.biosolveit.de\/infiniSee\/#knowledgespace (accessed\non 2021-05-28)."},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/ci200324e"},{"key":"ref34\/cit34","unstructured":"Drugbank,\nNilutamide. https:\/\/go.drugbank.com\/drugs\/DB00665 (accessed on 2021-05-28)."},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1038\/234034a0"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/ci00057a005"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/ci00062a008"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.9b00250"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.9b00249"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.6b00117"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1021\/acsmedchemlett.9b00331"},{"key":"ref42\/cit42","unstructured":"Landrum, G. A. RDKit: Open Source Cheminformatics. https:\/\/www.rdkit.org\/ (accessed on 2021-05-28)."},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1021\/jm901137j"},{"key":"ref44\/cit44","unstructured":"Tetko, I. V. OCHEM. https:\/\/ochem.eu\/ (accessed on 2021-05-28)."},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1021\/ci300245q"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1021\/acsmedchemlett.0c00373"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.5b00559"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-017-06168-1"},{"key":"ref49\/cit49","unstructured":"BioSolveIT GmbH MedChemWizard. https:\/\/www.biosolveit.de\/knime#MedChemWizard (accessed on 2021-05-28)."},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gks1059"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.8b01472"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.9b01581"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.0c01608"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.1c00640","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.1c00640","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,27]],"date-time":"2023-04-27T15:48:53Z","timestamp":1682610533000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.1c00640"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021,9,3]]},"references-count":53,"journal-issue":{"issue":"9","published-print":{"date-parts":[[2022,5,9]]}},"alternative-id":["10.1021\/acs.jcim.1c00640"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.1c00640","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2021,9,3]]}}}