{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,9,28]],"date-time":"2025-09-28T12:48:06Z","timestamp":1759063686648,"version":"3.37.3"},"reference-count":63,"publisher":"American Chemical Society (ACS)","issue":"5","funder":[{"DOI":"10.13039\/501100008530","name":"European Regional Development Fund","doi-asserted-by":"crossref","id":[{"id":"10.13039\/501100008530","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2015,5,26]]},"DOI":"10.1021\/ci500611v","type":"journal-article","created":{"date-parts":[[2015,4,14]],"date-time":"2015-04-14T19:07:54Z","timestamp":1429038474000},"page":"925-940","source":"Crossref","is-referenced-by-count":31,"title":["Discovering Structural Alerts for Mutagenicity Using Stable Emerging Molecular Patterns"],"prefix":"10.1021","volume":"55","author":[{"given":"Jean-Philippe","family":"M\u00e9tivier","sequence":"first","affiliation":[{"name":"Normandie Universit\u00e9, Caen, France"},{"name":"UNICAEN, GREYC,\rUMR CNRS 6072, F-14032 Caen, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Alban","family":"Lepailleur","sequence":"additional","affiliation":[{"name":"Normandie Universit\u00e9, Caen, France"},{"name":"UNICAEN, CERMN,\rUPRES EA 4258, FR CNRS 3038, F-14032 Caen, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Aleksey","family":"Buzmakov","sequence":"additional","affiliation":[{"name":"Laboratoire\rLorrain de Recherche en Informatique et ses Applications (LORIA), University of Lorraine, Nancy, France"},{"name":"National Research University Higher School of Economics (HSE), Moscow, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Guillaume","family":"Poezevara","sequence":"additional","affiliation":[{"name":"Normandie Universit\u00e9, Caen, France"},{"name":"UNICAEN, GREYC,\rUMR CNRS 6072, F-14032 Caen, France"},{"name":"UNICAEN, CERMN,\rUPRES EA 4258, FR CNRS 3038, F-14032 Caen, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Bruno","family":"Cr\u00e9milleux","sequence":"additional","affiliation":[{"name":"Normandie Universit\u00e9, Caen, France"},{"name":"UNICAEN, GREYC,\rUMR CNRS 6072, F-14032 Caen, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sergei O.","family":"Kuznetsov","sequence":"additional","affiliation":[{"name":"National Research University Higher School of Economics (HSE), Moscow, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"J\u00e9r\u00e9mie Le","family":"Goff","sequence":"additional","affiliation":[{"name":"ADn\u2019tox, Caen, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Amedeo","family":"Napoli","sequence":"additional","affiliation":[{"name":"Laboratoire\rLorrain de Recherche en Informatique et ses Applications (LORIA), University of Lorraine, Nancy, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ronan","family":"Bureau","sequence":"additional","affiliation":[{"name":"Normandie Universit\u00e9, Caen, France"},{"name":"UNICAEN, CERMN,\rUPRES EA 4258, FR CNRS 3038, F-14032 Caen, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Bertrand","family":"Cuissart","sequence":"additional","affiliation":[{"name":"Normandie Universit\u00e9, Caen, France"},{"name":"UNICAEN, GREYC,\rUMR CNRS 6072, F-14032 Caen, France"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2015,5,7]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"247","DOI":"10.2174\/1568026013395074","volume":"1","author":"Pearl G. M.","year":"2001","journal-title":"Curr. Top. Med. Chem."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"303","DOI":"10.1016\/j.drudis.2007.12.007","volume":"13","author":"Muster W.","year":"2008","journal-title":"Drug Discovery Today"},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1016\/j.addr.2006.10.008","volume":"59","author":"Kruhlak N. L.","year":"2007","journal-title":"Adv. Drug Delivery Rev."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"14","DOI":"10.1093\/toxsci\/kfm297","volume":"103","author":"Kavlock R. J.","year":"2008","journal-title":"Toxicol. Sci."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"381","DOI":"10.1111\/1539-6924.00317","volume":"23","author":"Rogers M. D.","year":"2003","journal-title":"Risk Anal."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"267","DOI":"10.1016\/0300-483X(95)03190-Q","volume":"106","author":"Ridings J. E.","year":"1996","journal-title":"Toxicology"},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"261","DOI":"10.1177\/096032719101000405","volume":"10","author":"Sanderson D. M.","year":"1991","journal-title":"Hum. Exp. Toxicol."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"191","DOI":"10.1021\/bk-1992-0484.ch019","volume":"484","author":"Smithing M. P.","year":"1992","journal-title":"ACS Symp. Ser."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"385","DOI":"10.1201\/9780849350351.ch10","volume-title":"Predictive Toxicology","author":"Lai D. Y.","year":"2005"},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"219","DOI":"10.1016\/0378-4274(95)03373-S","volume":"95","author":"Woo Y.","year":"1995","journal-title":"Toxicol. Lett."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"7315","DOI":"10.1021\/ja00336a004","volume":"106","author":"Klopman G. J.","year":"1984","journal-title":"J. Am. Chem. Soc."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"147","DOI":"10.1007\/s11030-005-9001-5","volume":"10","author":"Helma C.","year":"2006","journal-title":"Mol. Diversity"},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"747","DOI":"10.1093\/bioinformatics\/16.8.747","volume":"16","author":"Lagunin A.","year":"2000","journal-title":"Bioinformatics"},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"229","DOI":"10.1016\/0165-1110(91)90003-E","volume":"257","author":"Ashby J.","year":"1991","journal-title":"Mutat. Res."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"2507","DOI":"10.1021\/cr100222q","volume":"111","author":"Benigni R.","year":"2011","journal-title":"Chem. Rev."},{"volume-title":"The Benigni\/Bossa Rulebase for Mutagenicity and Carcinogenicity\u2014A Module of Toxtree","year":"2008","author":"Benigni R.","key":"ref18\/cit18"},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"207","DOI":"10.1080\/10629360902949179","volume":"20","author":"Van Leeuwen K.","year":"2009","journal-title":"SAR QSAR Environ. Res."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"161","DOI":"10.1191\/0960327105ht517oa","volume":"24","author":"Guzelian P. S.","year":"2005","journal-title":"Hum. Exp. Toxicol."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"356","DOI":"10.1016\/j.taap.2009.08.022","volume":"241","author":"Valerio L. G. J.","year":"2009","journal-title":"Toxicol. Appl. Pharmacol."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"77","DOI":"10.1016\/j.entcs.2004.12.039","volume":"127","author":"Nijssen S.","year":"2005","journal-title":"Electron. Notes Theor. Comput. Sci."},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1109\/ICDM.2002.1184038"},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"312","DOI":"10.1021\/jm040835a","volume":"48","author":"Kazius J.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"2945","DOI":"10.1021\/ci500314a","volume":"54","author":"Ahlberg E.","year":"2014","journal-title":"J. Chem. Inf. Model."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"707","DOI":"10.1021\/ci020345w","volume":"43","author":"Faulon J.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"721","DOI":"10.1021\/ci020346o","volume":"43","author":"Faulon J.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"1402","DOI":"10.1021\/ci034254q","volume":"44","author":"Helma C.","year":"2004","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"241","DOI":"10.1023\/A:1009796218281","volume":"1","author":"Mannila H.","year":"1997","journal-title":"Data Min. Knowl. Discovery"},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"597","DOI":"10.1021\/ci0503715","volume":"46","author":"Kazius J.","year":"2006","journal-title":"J. Chem. Inf. Comput. Sci."},{"volume-title":"Contrast Data Mining: Concepts, Algorithms, and Applications","year":"2013","author":"Dong G.","key":"ref31\/cit31"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1145\/312129.312191"},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"2502","DOI":"10.1021\/ci600301t","volume":"46","author":"Auer J.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"1201","DOI":"10.1093\/bioinformatics\/btg096","volume":"19","author":"Blinova V.","year":"2003","journal-title":"Bioinformatics"},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"3074","DOI":"10.1021\/ci300254w","volume":"52","author":"Sherhod R.","year":"2012","journal-title":"J. Chem. Inf. Model."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"1864","DOI":"10.1021\/ci5001828","volume":"54","author":"Sherhod R.","year":"2014","journal-title":"J. Chem. Inf. Model."},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"64","DOI":"10.1021\/ci00046a002","volume":"25","author":"Carhart R. E.","year":"1985","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"46","DOI":"10.1039\/C4TX00071D","volume":"4","author":"Coquin L.","year":"2015","journal-title":"Toxicol. Res."},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"1330","DOI":"10.1021\/ci100092x","volume":"50","author":"Lozano S.","year":"2010","journal-title":"J. Chem. Inf. Model."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"333","DOI":"10.1007\/s10844-011-0168-1","volume":"37","author":"Poezevara G.","year":"2011","journal-title":"J. Intell. Inf. Syst."},{"key":"ref41\/cit41","first-page":"269","volume-title":"Contrast Data Mining: Concepts, Algorithms, and Applications","author":"Cuissart B.","year":"2013"},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"2077","DOI":"10.1021\/ci900161g","volume":"49","author":"Hansen K.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref43\/cit43","first-page":"62","volume":"24","author":"Kuznetsov S. O.","year":"1990","journal-title":"Autom. Doc. Math. Linguist."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"101","DOI":"10.1007\/s10472-007-9053-6","volume":"49","author":"Kuznetsov S. O.","year":"2007","journal-title":"Ann. Math. Artif. Intell."},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"383","DOI":"10.1142\/S0129054108005735","volume":"19","author":"Roth C.","year":"2008","journal-title":"Int. J. Found. Comput. Sci."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","DOI":"10.1017\/CBO9780511809088","volume-title":"Introduction to Lattices and Order","author":"Davey B. A.","year":"2002","edition":"2"},{"key":"ref47\/cit47","doi-asserted-by":"crossref","DOI":"10.1007\/978-3-642-59830-2","volume-title":"Formal Concept Analysis: Mathematical Foundations","author":"Ganter B.","year":"1999"},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"190","DOI":"10.1007\/11536314_12","volume":"3625","author":"Kuznetsov S. O.","year":"2005","journal-title":"Lect. Notes Comput. Sci."},{"key":"ref49\/cit49","series-title":"Springer Series in Statistics","doi-asserted-by":"crossref","first-page":"485","DOI":"10.1007\/978-0-387-84858-7_14","volume-title":"The Elements of Statistical Learning","author":"Hastie T.","year":"2009"},{"key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"241","DOI":"10.1007\/978-3-540-73681-3_18","volume":"4604","author":"Kuznetsov S. O.","year":"2007","journal-title":"Lect. Notes Comput. Sci."},{"key":"ref51\/cit51","first-page":"109","author":"Borgelt C.","year":"2006","journal-title":"Proc. Workshop Min. Learn. Graphs, 4th"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1109\/ICIAP.1999.797762"},{"key":"ref53\/cit53","doi-asserted-by":"crossref","first-page":"384","DOI":"10.1007\/978-3-540-48247-5_47","volume":"1704","author":"Kuznetsov S. O.","year":"1999","journal-title":"Lect. Notes Comput. Sci."},{"key":"ref54\/cit54","doi-asserted-by":"crossref","first-page":"157","DOI":"10.1007\/978-3-319-07248-7_12","volume":"8478","author":"Buzmakov A.","year":"2014","journal-title":"Lect. Notes Comput. Sci."},{"key":"ref55\/cit55","unstructured":"Chemical Carcinogenesis Research Information System.http:\/\/toxnet.nlm.nih.gov\/cgi-bin\/sis\/htmlgen?CCRIS."},{"key":"ref58\/cit58","doi-asserted-by":"crossref","first-page":"1463","DOI":"10.1021\/ci034032s","volume":"43","author":"Feng J.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref59\/cit59","doi-asserted-by":"crossref","first-page":"117","DOI":"10.1016\/j.tox.2005.05.014","volume":"213","author":"Judson P. N.","year":"2005","journal-title":"Toxicology"},{"key":"ref61\/cit61","doi-asserted-by":"crossref","first-page":"782","DOI":"10.1073\/pnas.70.3.782","volume":"70","author":"Ames B. N.","year":"1973","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref62\/cit62","doi-asserted-by":"crossref","first-page":"2570","DOI":"10.1021\/ci300338w","volume":"52","author":"Martin T. M.","year":"2012","journal-title":"J. Chem. Inf. Model."},{"key":"ref63\/cit63","doi-asserted-by":"crossref","first-page":"3494","DOI":"10.2174\/138161207782794257","volume":"13","author":"Tropsha A.","year":"2007","journal-title":"Curr. Pharm. Des."},{"key":"ref64\/cit64","doi-asserted-by":"crossref","first-page":"29","DOI":"10.1148\/radiology.143.1.7063747","volume":"143","author":"Hanley J. A.","year":"1982","journal-title":"Radiology"},{"key":"ref65\/cit65","doi-asserted-by":"crossref","first-page":"10","DOI":"10.1186\/1758-2946-4-10","volume":"4","author":"Seal A.","year":"2012","journal-title":"J. Cheminf."},{"key":"ref66\/cit66","doi-asserted-by":"crossref","first-page":"2840","DOI":"10.1021\/ci300400a","volume":"52","author":"Xu C.","year":"2012","journal-title":"J. Chem. Inf. Model."},{"key":"ref67\/cit67","doi-asserted-by":"crossref","first-page":"2310","DOI":"10.1021\/ci300245q","volume":"52","author":"Sushko I.","year":"2012","journal-title":"J. Chem. Inf. Model."},{"key":"ref68\/cit68","doi-asserted-by":"crossref","first-page":"56","DOI":"10.1007\/978-3-642-14197-3_9","volume":"6208","author":"Bissell-Siders R.","year":"2010","journal-title":"Lect. Notes. Comput. Sci."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci500611v","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,15]],"date-time":"2023-04-15T23:46:01Z","timestamp":1681602361000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci500611v"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2015,5,7]]},"references-count":63,"journal-issue":{"issue":"5","published-print":{"date-parts":[[2015,5,26]]}},"alternative-id":["10.1021\/ci500611v"],"URL":"https:\/\/doi.org\/10.1021\/ci500611v","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"type":"print","value":"1549-9596"},{"type":"electronic","value":"1549-960X"}],"subject":[],"published":{"date-parts":[[2015,5,7]]}}}