{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,23]],"date-time":"2025-10-23T16:39:15Z","timestamp":1761237555759},"reference-count":38,"publisher":"American Chemical Society (ACS)","issue":"8","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2008,8,1]]},"DOI":"10.1021\/ci8000502","type":"journal-article","created":{"date-parts":[[2008,7,17]],"date-time":"2008-07-17T08:00:45Z","timestamp":1216281645000},"page":"1543-1557","source":"Crossref","is-referenced-by-count":20,"title":["Evolving Interpretable Structure\u2212Activity Relationships. 1. Reduced Graph Queries"],"prefix":"10.1021","volume":"48","author":[{"given":"Kristian","family":"Birchall","sequence":"first","affiliation":[{"name":"Department of Information Studies, University of Sheffield, Regent Court, 211 Portobello Street, Sheffield S1 4DP, United Kingdom, and GlaxoSmithKline, Medicines Research Centre, Gunnels Wood Road, Stevenage SG1 2NY, United Kingdom"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Valerie J.","family":"Gillet","sequence":"additional","affiliation":[{"name":"Department of Information Studies, University of Sheffield, Regent Court, 211 Portobello Street, Sheffield S1 4DP, United Kingdom, and GlaxoSmithKline, Medicines Research Centre, Gunnels Wood Road, Stevenage SG1 2NY, United Kingdom"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Gavin","family":"Harper","sequence":"additional","affiliation":[{"name":"Department of Information Studies, University of Sheffield, Regent Court, 211 Portobello Street, Sheffield S1 4DP, United Kingdom, and GlaxoSmithKline, Medicines Research Centre, Gunnels Wood Road, Stevenage SG1 2NY, United Kingdom"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Stephen D.","family":"Pickett","sequence":"additional","affiliation":[{"name":"Department of Information Studies, University of Sheffield, Regent Court, 211 Portobello Street, Sheffield S1 4DP, United Kingdom, and GlaxoSmithKline, Medicines Research Centre, Gunnels Wood Road, Stevenage SG1 2NY, United Kingdom"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2008,7,17]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"694","DOI":"10.1016\/j.drudis.2006.06.006","volume":"11","author":"Harper G.","year":"2006","journal-title":"Drug Discovery Today"},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"1122","DOI":"10.1021\/ci049732r","volume":"45","author":"Saeh J. C.","year":"2005","journal-title":"J. Chem. Inf. Model."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"682","DOI":"10.1177\/1087057105281365","volume":"10","author":"Rogers D.","year":"2005","journal-title":"J. Biomol. Screening"},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"478","DOI":"10.1021\/ci0505426","volume":"46","author":"Chen B. N.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"193","DOI":"10.1021\/ci050374h","volume":"46","author":"Glick M.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"269","DOI":"10.1007\/s10822-007-9113-3","volume":"21","author":"Cannon E. O.","year":"2007","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"1098","DOI":"10.1021\/ci050519k","volume":"46","author":"Plewczynski D.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"941","DOI":"10.1021\/ci034023j","volume":"43","author":"van Rhee A. M.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"219","DOI":"10.1021\/ci600332j","volume":"47","author":"Bruce C. L.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"338","DOI":"10.1021\/ci025592e","volume":"43","author":"Gillet V. J.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"503","DOI":"10.1021\/ci050347r","volume":"46","author":"Barker E. J.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"354","DOI":"10.1021\/ci600444g","volume":"47","author":"Gardiner E. J.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"2145","DOI":"10.1021\/ci049860f","volume":"44","author":"Harper G.","year":"2004","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"639","DOI":"10.1021\/ci00010a009","volume":"32","author":"Takahashi Y.","year":"1992","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"471","DOI":"10.1023\/A:1008068904628","volume":"12","author":"Rarey M.","year":"1998","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"208","DOI":"10.1021\/ci050457y","volume":"46","author":"Steifl N.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"2887","DOI":"10.1021\/jm9602928","volume":"39","author":"Bemis G. W.","year":"1996","journal-title":"J. Med. Chem."},{"key":"ref18\/cit18","unstructured":"Daylight Daylight Chemical Information Systems, Inc., 120 Vantis - Suite 550, Aliso Viejo, CA 92656, U.S.A. www.daylight.com athttp:\/\/www.daylight.com."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"290","DOI":"10.1088\/0957-4484\/10\/3\/312","volume":"10","author":"Globus A.","year":"1999","journal-title":"Nanotechnology"},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"57","DOI":"10.1023\/A:1010072431120","volume":"1","author":"Nachbar R. B.","year":"2000","journal-title":"Genetic Programming Evolvable Machines"},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"761","DOI":"10.1007\/s10822-004-6986-2","volume":"18","author":"Brown N.","year":"2004","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"545","DOI":"10.1021\/ci050369d","volume":"46","author":"Lameijer E. W.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","DOI":"10.1017\/CBO9780511574931","volume-title":"Algorithms on strings, trees and sequences: Computer science and computational biology","author":"Gusfield D.","year":"1997"},{"key":"ref24\/cit24","volume-title":"Information retrieval","author":"van Rijsbergen C. J.","year":"1979"},{"key":"ref25\/cit25","unstructured":"MDL Information Systems Inc. 2440 Camino Ramon, Suite 300, San Ramon, CA 94583."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"1177","DOI":"10.1021\/ci034231b","volume":"44","author":"Hert J.","year":"2004","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"1443","DOI":"10.1016\/S1359-6446(05)03580-4","volume":"10","author":"Zlokarnik G.","year":"2005","journal-title":"Drug Discovery Today"},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"463","DOI":"10.1038\/nature04710","volume":"440","author":"Sanguinetti M. C.","year":"2006","journal-title":"Nature"},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"577","DOI":"10.1021\/ci050465e","volume":"46","author":"Birchall K.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"462","DOI":"10.1021\/ci050348j","volume":"46","author":"Hert J.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"2137","DOI":"10.1021\/jm00394a035","volume":"30","author":"Dellaria J. F.","year":"1987","journal-title":"J. Med. Chem."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"191","DOI":"10.1016\/S0014-827X(00)00019-7","volume":"55","author":"Chilmonczyk Z.","year":"2000","journal-title":"Il Farmaco"},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"1558","DOI":"10.1021\/ci800051h","volume":"48","author":"Birchall K.","year":"2008","journal-title":"J. Chem. Inf. Model."},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"392","DOI":"10.1021\/ci050308f","volume":"46","author":"Song M.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"2307","DOI":"10.1016\/j.bmc.2004.02.003","volume":"12","author":"Aronov A. M.","year":"2004","journal-title":"Bioorg. Med. Chem."},{"key":"ref36\/cit36","first-page":"2116","volume":"45","author":"Wolff T.","year":"1985","journal-title":"Cancer Res."},{"key":"ref37\/cit37","first-page":"477","volume":"9","author":"Ekins S.","year":"1999","journal-title":"Pharmacogenetics"},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"5154","DOI":"10.1021\/jm048959a","volume":"48","author":"Chohan K. K.","year":"2005","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\/ci8000502","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,3,21]],"date-time":"2023-03-21T15:58:53Z","timestamp":1679414333000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci8000502"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2008,7,17]]},"references-count":38,"journal-issue":{"issue":"8","published-print":{"date-parts":[[2008,8,1]]}},"alternative-id":["10.1021\/ci8000502"],"URL":"https:\/\/doi.org\/10.1021\/ci8000502","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2008,7,17]]}}}