{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,6]],"date-time":"2026-10-06T01:21:34Z","timestamp":1791249694263,"version":"4.1.0"},"reference-count":28,"publisher":"American Chemical Society (ACS)","issue":"2","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2006,3,1]]},"DOI":"10.1021\/ci050347r","type":"journal-article","created":{"date-parts":[[2006,3,27]],"date-time":"2006-03-27T05:39:14Z","timestamp":1143437954000},"page":"503-511","source":"Crossref","is-referenced-by-count":85,"title":["Scaffold Hopping Using Clique Detection Applied to Reduced Graphs"],"prefix":"10.1021","volume":"46","author":[{"given":"Edward J.","family":"Barker","sequence":"first","affiliation":[{"name":"Department of Information Studies and Krebs Institute for Biomolecular Research, University of Sheffield, Western Bank, Sheffield S10 2TN, United Kingdom, and AstraZeneca, Mereside, Alderley Park, Macclesfield, Cheshire, United Kingdom"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"David","family":"Buttar","sequence":"additional","affiliation":[{"name":"Department of Information Studies and Krebs Institute for Biomolecular Research, University of Sheffield, Western Bank, Sheffield S10 2TN, United Kingdom, and AstraZeneca, Mereside, Alderley Park, Macclesfield, Cheshire, United Kingdom"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"David A.","family":"Cosgrove","sequence":"additional","affiliation":[{"name":"Department of Information Studies and Krebs Institute for Biomolecular Research, University of Sheffield, Western Bank, Sheffield S10 2TN, United Kingdom, and AstraZeneca, Mereside, Alderley Park, Macclesfield, Cheshire, United Kingdom"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Eleanor J.","family":"Gardiner","sequence":"additional","affiliation":[{"name":"Department of Information Studies and Krebs Institute for Biomolecular Research, University of Sheffield, Western Bank, Sheffield S10 2TN, United Kingdom, and AstraZeneca, Mereside, Alderley Park, Macclesfield, Cheshire, United Kingdom"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Paula","family":"Kitts","sequence":"additional","affiliation":[{"name":"Department of Information Studies and Krebs Institute for Biomolecular Research, University of Sheffield, Western Bank, Sheffield S10 2TN, United Kingdom, and AstraZeneca, Mereside, Alderley Park, Macclesfield, Cheshire, United Kingdom"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Peter","family":"Willett","sequence":"additional","affiliation":[{"name":"Department of Information Studies and Krebs Institute for Biomolecular Research, University of Sheffield, Western Bank, Sheffield S10 2TN, United Kingdom, and AstraZeneca, Mereside, Alderley Park, Macclesfield, Cheshire, United Kingdom"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Valerie J.","family":"Gillet","sequence":"additional","affiliation":[{"name":"Department of Information Studies and Krebs Institute for Biomolecular Research, University of Sheffield, Western Bank, Sheffield S10 2TN, United Kingdom, and AstraZeneca, Mereside, Alderley Park, Macclesfield, Cheshire, United Kingdom"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2006,1,10]]},"reference":[{"key":"ci050347rb00001\/ci050347rb00001_1","first-page":"84","volume":"7","author":"Lajiness M. S","year":"1997","journal-title":"Perspect. Drug Discovery Des."},{"key":"ci050347rb00002\/ci050347rb00002_1","first-page":"4358","volume":"45","author":"Martin Y. C.","year":"2002","journal-title":"J. Med. Chem."},{"key":"ci050347rb00003\/ci050347rb00003_1","doi-asserted-by":"crossref","first-page":"996","DOI":"10.1021\/ci9800211","volume":"38","author":"Willett P.","year":"1998","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci050347rb00004\/ci050347rb00004_1","volume-title":"Drug Discovery Today:\u2009 Technol","author":"Bohm H.-J.","year":"2004"},{"key":"ci050347rb00005\/ci050347rb00005_1","doi-asserted-by":"crossref","first-page":"2896","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."},{"key":"ci050347rb00006\/ci050347rb00006_1","doi-asserted-by":"crossref","first-page":"911","DOI":"10.1016\/S1359-6446(02)02411-X","volume":"7","author":"Sheridan R. P.","year":"2002","journal-title":"Drug Discovery Today"},{"key":"ci050347rb00007\/ci050347rb00007_1","first-page":"167","volume":"36","author":"Wild D. J.","year":"1996","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci050347rb00008\/ci050347rb00008_1","doi-asserted-by":"crossref","first-page":"1666","DOI":"10.1002\/(SICI)1096-987X(19961115)17:14<1653::AID-JCC7>3.0.CO;2-K","volume":"17","author":"Grant J. A.","year":"1996","journal-title":"J. Comput. Chem."},{"key":"ci050347rb00009\/ci050347rb00009_1","doi-asserted-by":"crossref","first-page":"781","DOI":"10.2174\/1386207043328238","volume":"7","author":"Schuffenhauer A.","year":"2004","journal-title":"Comb. Chem. High Throughput Screening"},{"key":"ci050347rb00010\/ci050347rb00010_1","first-page":"1495","volume":"48","author":"Rush T. S.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ci050347rb00011\/ci050347rb00011_1","doi-asserted-by":"crossref","first-page":"1152","DOI":"10.1023\/A:1015930826903","volume":"15","author":"Bostrom J","year":"2001","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ci050347rb00012\/ci050347rb00012_1","doi-asserted-by":"crossref","first-page":"127","DOI":"10.1021\/ci950274j","volume":"36","author":"Kearsley S. K.","year":"1996","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci050347rb00013\/ci050347rb00013_1","doi-asserted-by":"crossref","first-page":"405","DOI":"10.1021\/ci025569t","volume":"43","author":"Schuffenhauer A.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci050347rb00014\/ci050347rb00014_1","doi-asserted-by":"crossref","first-page":"137","DOI":"10.1021\/ci00055a007","volume":"27","author":"Gillet V. J.","year":"1987","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci050347rb00015\/ci050347rb00015_1","doi-asserted-by":"crossref","first-page":"2156","DOI":"10.1021\/ci049860f","volume":"44","author":"Harper G.","year":"2004","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci050347rb00016\/ci050347rb00016_1","doi-asserted-by":"crossref","first-page":"643","DOI":"10.1021\/ci00010a009","volume":"32","author":"Takahashi Y.","year":"1992","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci050347rb00017\/ci050347rb00017_1","doi-asserted-by":"crossref","first-page":"356","DOI":"10.1021\/ci0255937","volume":"43","author":"Barker E. J.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci050347rb00018\/ci050347rb00018_1","doi-asserted-by":"crossref","first-page":"345","DOI":"10.1021\/ci025592e","volume":"43","author":"Gillet V. J.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci050347rb00019\/ci050347rb00019_1","volume-title":"Chemical Similarity Searching Using Reduced Graphs","author":"Barker E. J.","year":"2004"},{"key":"ci050347rb00021\/ci050347rb00021_1","first-page":"533","volume":"16","author":"Raymond J. W.","year":"2002","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ci050347rb00022\/ci050347rb00022_1","doi-asserted-by":"crossref","first-page":"644","DOI":"10.1093\/comjnl\/45.6.631","volume":"45","author":"Raymond J. W.","year":"2002","journal-title":"Comput. J."},{"key":"ci050347rb00023\/ci050347rb00023_1","doi-asserted-by":"crossref","first-page":"577","DOI":"10.1145\/362342.362367","volume":"16","author":"Bron C.","year":"1973","journal-title":"Commun. ACM"},{"key":"ci050347rb00024\/ci050347rb00024_1","first-page":"71","volume":"16","author":"Raymond J. W.","year":"2002","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ci050347rb00025\/ci050347rb00025_1","doi-asserted-by":"crossref","first-page":"439","DOI":"10.2174\/1568026053828411","volume":"5","author":"Davis A. M.","year":"2005","journal-title":"Curr. Top. Med. Chem."},{"key":"ci050347rb00026\/ci050347rb00026_1","doi-asserted-by":"crossref","first-page":"3266","DOI":"10.1039\/b409865j","volume":"2","author":"Hert J.","year":"2004","journal-title":"Org. Biomol. Chem."},{"key":"ci050347rb00027\/ci050347rb00027_1","first-page":"1718","volume":"44","author":"Bender A.","year":"2004","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci050347rb00028\/ci050347rb00028_1","volume-title":"1699 South Hanley Rd","author":"Tripos Inc."},{"key":"ci050347rb00029\/ci050347rb00029_1","doi-asserted-by":"crossref","first-page":"2893","DOI":"10.1021\/jm9602928","volume":"39","author":"Bemis G. W.","year":"1996","journal-title":"J. Med. Chem."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci050347r","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2021,9,21]],"date-time":"2021-09-21T13:00:01Z","timestamp":1632229201000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci050347r"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2006,1,10]]},"references-count":28,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2006,3,1]]}},"alternative-id":["10.1021\/ci050347r"],"URL":"https:\/\/doi.org\/10.1021\/ci050347r","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2006,1,10]]}}}