{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,11]],"date-time":"2025-11-11T12:51:09Z","timestamp":1762865469524},"reference-count":30,"publisher":"American Chemical Society (ACS)","issue":"11","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2008,11,24]]},"DOI":"10.1021\/ci8000887","type":"journal-article","created":{"date-parts":[[2008,10,29]],"date-time":"2008-10-29T13:00:50Z","timestamp":1225285250000},"page":"2097-2107","source":"Crossref","is-referenced-by-count":27,"title":["Toward an Improved Clustering of Large Data Sets Using Maximum Common Substructures and Topological Fingerprints"],"prefix":"10.1021","volume":"48","author":[{"given":"Alexander","family":"B\u00f6cker","sequence":"first","affiliation":[{"name":"Boehringer Ingelheim (Canada) Ltd. Research & Development, 2100 Cunard Street, Laval, Quebec, Canada H7S 2G5"}]}],"member":"316","published-online":{"date-parts":[[2008,10,29]]},"reference":[{"key":"ref1\/cit1","unstructured":"Duda, R. O., Hart, P. E., and Stork, D. G.Unsupervised Learning and Clustering. In Pattern Classification, 2nd ed.Duda, R. O., Hart, P. E., and Stork, D. G., Eds.John Wiley & Sons, Inc.:New York, NY, 2001; pp517\u2212599."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"207","DOI":"10.1002\/qsar.200330860","volume":"23","author":"B\u00f6cker A.","year":"2004","journal-title":"QSAR Comb. Sci."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"369","DOI":"10.1038\/nrd1086","volume":"2","author":"Bleicher K. H.","year":"2003","journal-title":"Nat. Rev. Drug Discovery"},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"2651","DOI":"10.1021\/ci600219n","volume":"46","author":"Engels M. F. M.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"2319","DOI":"10.1021\/ci0600657","volume":"46","author":"Selzer P.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"3962","DOI":"10.1021\/jm040762v","volume":"47","author":"Clark D. E.","year":"2004","journal-title":"J. Med. Chem."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"1294","DOI":"10.1021\/jm061389p","volume":"50","author":"Kellenberger E.","year":"2007","journal-title":"J. Med. Chem."},{"key":"ref8\/cit8","first-page":"265","volume":"31","author":"Jain A. k.","year":"1999","journal-title":"ACM Comput. Surv."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"236","DOI":"10.1080\/01621459.1963.10500845","volume":"58","author":"Ward J. H.","year":"1963","journal-title":"J. Am. Stat. Assoc."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"572","DOI":"10.1021\/ci9501047","volume":"36","author":"Brown R. D.","year":"1996","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"1025","DOI":"10.1109\/T-C.1973.223640","volume":"22","author":"Jarvis R. A.","year":"1973","journal-title":"IEEE Trans. Comput."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"59","DOI":"10.1007\/BF00337288","volume":"43","author":"Kohonen T.","year":"1982","journal-title":"Biol. Cybern."},{"key":"ref13\/cit13","unstructured":"MDL Drug Data Report, Version December 2006; Symyx Technologies Inc.: Santa Clara, CA, 2006."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"807","DOI":"10.1021\/ci0500029","volume":"45","author":"B\u00f6cker A.","year":"2005","journal-title":"J. Chem. Inf. Model."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"2220","DOI":"10.1021\/ci050541d","volume":"46","author":"B\u00f6cker A.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref16\/cit16","unstructured":"JChem, version 3.2.8; ChemAxon Ltd.: Budapest, Hungary, 2006."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"1195","DOI":"10.1021\/ci960361r","volume":"36","author":"Doman T. N.","year":"1996","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"497","DOI":"10.1021\/ci980003j","volume":"38","author":"Menard P. R.","year":"1998","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"1069","DOI":"10.1021\/ci010244i","volume":"42","author":"Nicolaou C. A.","year":"2002","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"542","DOI":"10.1021\/ci050011h","volume":"45","author":"Stahl M.","year":"2005","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"354","DOI":"10.1021\/ci600444g","volume":"47","author":"Gardiner E. J.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"key":"ref22\/cit22","unstructured":"Pipeline Pilot, version 6; Accelrys, Inc.: San Diego, CA, 2006."},{"key":"ref23\/cit23","unstructured":"Molecular Operating Environment (MOE), version 2006.08; Chemical Computing Group Inc.: Montreal, Canada, 2006."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"1160","DOI":"10.1021\/ci000384c","volume":"40","author":"Whitley D. C.","year":"2000","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"986","DOI":"10.1021\/ci9800211","volume":"38","author":"Willett P.","year":"1998","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"4350","DOI":"10.1021\/jm020155c","volume":"45","author":"Martin Y. C.","year":"2002","journal-title":"J. Med. Chem."},{"key":"ref27\/cit27","unstructured":"Daylight Chemical Information Systems, Inc.http:\/\/www.daylight.com\/dayhtml\/doc\/theory\/theory.finger.html(accessed July 14, 2008) ."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"421","DOI":"10.1023\/B:MODI.0000047503.82461.e8","volume":"8","author":"Schmuker M.","year":"2004","journal-title":"Mol. Divers."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"437","DOI":"10.1038\/nrd820","volume":"1","author":"Barns P. J.","year":"2002","journal-title":"Nat. Rev. Drug Discovery"},{"key":"ref30\/cit30","unstructured":"Spotfire DecisionSite, version 8.2; TIBCO Software Inc.: Palo Alto, CA, 2006."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci8000887","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,4]],"date-time":"2023-04-04T04:03:03Z","timestamp":1680580983000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci8000887"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2008,10,29]]},"references-count":30,"journal-issue":{"issue":"11","published-print":{"date-parts":[[2008,11,24]]}},"alternative-id":["10.1021\/ci8000887"],"URL":"https:\/\/doi.org\/10.1021\/ci8000887","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2008,10,29]]}}}