{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,1]],"date-time":"2025-10-01T18:01:06Z","timestamp":1759341666764},"reference-count":49,"publisher":"American Chemical Society (ACS)","issue":"7","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2013,7,22]]},"DOI":"10.1021\/ci400107k","type":"journal-article","created":{"date-parts":[[2013,6,11]],"date-time":"2013-06-11T12:12:01Z","timestamp":1370952721000},"page":"1676-1688","source":"Crossref","is-referenced-by-count":12,"title":["Searching for Recursively Defined Generic Chemical Patterns in Nonenumerated Fragment Spaces"],"prefix":"10.1021","volume":"53","author":[{"given":"Hans-Christian","family":"Ehrlich","sequence":"first","affiliation":[{"name":"University of Hamburg, Bundestra\u00dfe\r43, 20146 Hamburg, Germany"}]},{"given":"Angela M.","family":"Henzler","sequence":"additional","affiliation":[{"name":"University of Hamburg, Bundestra\u00dfe\r43, 20146 Hamburg, Germany"}]},{"given":"Matthias","family":"Rarey","sequence":"additional","affiliation":[{"name":"University of Hamburg, Bundestra\u00dfe\r43, 20146 Hamburg, Germany"}]}],"member":"316","published-online":{"date-parts":[[2013,7,9]]},"reference":[{"key":"ref1\/cit1","first-page":"36","volume":"5","author":"Sussenguth E. H.","year":"1965","journal-title":"J. Graph Theor."},{"key":"ref2\/cit2","first-page":"237","volume":"12","author":"Figueras J.","year":"1972","journal-title":"J. Graph Theor."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"339","DOI":"10.1002\/jgt.3190010410","volume":"1","author":"Read R. C.","year":"1977","journal-title":"J. Graph Theor."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"95","DOI":"10.1002\/jgt.3190030202","volume":"3","author":"Gati G.","year":"1979","journal-title":"J. Graph Theor."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"31","DOI":"10.1145\/321921.321925","volume":"23","author":"Ullmann J. R.","year":"1976","journal-title":"J. Assoc. Comput. Mach."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"102","DOI":"10.1021\/ci00039a003","volume":"23","author":"Attias R.","year":"1983","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"185","DOI":"10.1177\/009286158201600406","volume":"16","author":"Heyman J.","year":"1982","journal-title":"Drug. Inf. J."},{"key":"ref8\/cit8","first-page":"983","volume":"38","author":"Willett P.","year":"1998","journal-title":"J. Chem. Inf. Model."},{"key":"ref9\/cit9","unstructured":"Cordella, L.; Foggia, P.; Sansone, C.; Vento, M.Performance evaluation of the VF graph matching algorithm.International Conference on Image Analysis and Processing, 1999. Proceedings;IEEE Computer Society:Washington, DC, 1999; pp1172\u20131177."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"1367","DOI":"10.1109\/TPAMI.2004.75","volume":"26","author":"Cordella L. P.","year":"2004","journal-title":"IEEE Trans. Pattern Anal."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","unstructured":"Yan, X.; Yu, P. S.; Han, J.Substructure similarity search in graph databases.Proceedings of the 2005 ACM SIGMOD international conference on Management of data;ACM:New York, NY, 2005; pp766\u2013777.","DOI":"10.1145\/1066157.1066244"},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"22","DOI":"10.1021\/ci8003013","volume":"49","author":"Golovin A.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"8732","DOI":"10.1021\/ja902302h","volume":"131","author":"Blum L. C.","year":"2009","journal-title":"J. Am. Chem. Soc."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"177","DOI":"10.1021\/ci049714+","volume":"45","author":"Irwin J.","year":"2005","journal-title":"J. Chem. Inf. Model."},{"key":"ref15\/cit15","first-page":"217","volume-title":"Annual Reports in Computational Chemistry","volume":"4","author":"Bolton E. E.","year":"2008"},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1002\/(SICI)1098-1128(199601)16:1<3::AID-MED1>3.0.CO;2-6","volume":"16","author":"Bohacek R. S.","year":"1996","journal-title":"Med. Res. Rev."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"1504","DOI":"10.1002\/anie.200462457","volume":"44","author":"Fink T.","year":"2005","journal-title":"Angew. Chem., Int. Ed. Engl."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"30","DOI":"10.1039\/c0md00020e","volume":"1","author":"Reymond J.-L.","year":"2010","journal-title":"Med. Chem. Commun."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"511","DOI":"10.1021\/ci970429i","volume":"38","author":"Lewell X. Q.","year":"1998","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"2468","DOI":"10.1021\/jm0707727","volume":"51","author":"Boehm M.","year":"2008","journal-title":"J. Med. Chem."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"1503","DOI":"10.1002\/cmdc.200800178","volume":"3","author":"Degen J.","year":"2008","journal-title":"ChemMedChem"},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"270","DOI":"10.1021\/ci800272a","volume":"49","author":"Lessel U.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref23\/cit23","unstructured":"Markush, E.Patent US 1506316."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"195","DOI":"10.1016\/S0172-2190(03)00073-5","volume":"25","author":"Simmons E. S.","year":"2003","journal-title":"World Pat. Inf."},{"key":"ref25\/cit25","first-page":"727","volume":"1","author":"Downs G. M.","year":"2011","journal-title":"Wiley Interdiscip. Rev.: Comput. Mol. Sci."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"1936","DOI":"10.1021\/ci3000387","volume":"52","author":"Cosgrove D. A.","year":"2012","journal-title":"J. Chem. Inf. Model."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"126","DOI":"10.1021\/ci00055a007","volume":"27","author":"Gillet V. J.","year":"1987","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"145","DOI":"10.1021\/ci00066a008","volume":"30","author":"Fisanick W.","year":"1990","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1021\/ci00023a001","volume":"35","author":"Holliday J. D.","year":"1995","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1021\/ci9600364","volume":"37","author":"Benichou P.","year":"1997","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"497","DOI":"10.1023\/A:1011144622059","volume":"15","author":"Rarey M.","year":"2001","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"2894","DOI":"10.1002\/(SICI)1521-3773(19991004)38:19<2894::AID-ANIE2894>3.0.CO;2-F","volume":"38","author":"Schneider G.","year":"1999","journal-title":"Angew. Chem., Int. Ed. Engl."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"4130","DOI":"10.1002\/1521-3773(20001117)39:22<4130::AID-ANIE4130>3.0.CO;2-E","volume":"39","author":"Schneider G.","year":"2000","journal-title":"Angew. Chem., Int. Ed. Engl."},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"16","DOI":"10.1111\/j.1747-0285.2008.00672.x","volume":"72","author":"Hartenfeller M.","year":"2008","journal-title":"Chem. Biol. Drug. Des."},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"931","DOI":"10.1007\/s10822-011-9473-6","volume":"25","author":"Lippert T.","year":"2011","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"e1002380","DOI":"10.1371\/journal.pcbi.1002380","volume":"8","author":"Hartenfeller M.","year":"2012","journal-title":"PLoS Comput. Biol."},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"3926","DOI":"10.1021\/jm970403i","volume":"40","author":"Good A. C.","year":"1997","journal-title":"J. Med. Chem."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"491","DOI":"10.1016\/S1093-3263(01)00150-4","volume":"20","author":"Gillet V. J.","year":"2002","journal-title":"J. Mol. Graphics Modell."},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1021\/ci900287p","volume":"50","author":"Fischer J.","year":"2010","journal-title":"J. Chem. Inf. Model."},{"key":"ref40\/cit40","unstructured":"Domine, D.; Cedric, M.Method for fast substructure searching in non-enumerated chemical libraries. US Patent Application US 2007\/0260583 A1, 2007"},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"3181","DOI":"10.1021\/ci300283a","volume":"52","author":"Ehrlich H.-C.","year":"2012","journal-title":"J. Chem. Inf. Model."},{"key":"ref42\/cit42","unstructured":"Daylight Theory Manual, version 4.9; Daylight Chemical Information Systems Inc.: Aliso Viejo, CA, 2008."},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"71","DOI":"10.1021\/ci960109j","volume":"37","author":"Ash S.","year":"1997","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"295","DOI":"10.1021\/ci600305h","volume":"47","author":"Proschak E.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-4-13"},{"issue":"1","key":"ref46\/cit46","first-page":"O9","volume":"2","author":"Detering C.","year":"2010","journal-title":"J. Chem. Inf. Model."},{"key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"1529","DOI":"10.1021\/ci100209a","volume":"50","author":"Schomburg K.","year":"2010","journal-title":"J. Chem. Inf. Model."},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"555","DOI":"10.1080\/10629360802348985","volume":"19","author":"Enoch S. J.","year":"2008","journal-title":"SAR QSAR Environ. Res."},{"key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"1289","DOI":"10.1089\/aid.1990.6.1289","volume":"6","author":"Owens R. J.","year":"1990","journal-title":"AIDS Res. Hum. Retroviruses"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci400107k","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,2]],"date-time":"2023-04-02T21:32:25Z","timestamp":1680471145000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci400107k"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2013,7,9]]},"references-count":49,"journal-issue":{"issue":"7","published-print":{"date-parts":[[2013,7,22]]}},"alternative-id":["10.1021\/ci400107k"],"URL":"https:\/\/doi.org\/10.1021\/ci400107k","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2013,7,9]]}}}