{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,10]],"date-time":"2026-01-10T20:46:18Z","timestamp":1768077978841,"version":"3.49.0"},"reference-count":60,"publisher":"American Chemical Society (ACS)","issue":"12","funder":[{"DOI":"10.13039\/100000015","name":"U.S. Department of Energy","doi-asserted-by":"publisher","award":["DE-SC10822882"],"award-info":[{"award-number":["DE-SC10822882"]}],"id":[{"id":"10.13039\/100000015","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2014,12,22]]},"DOI":"10.1021\/ci5003922","type":"journal-article","created":{"date-parts":[[2014,11,20]],"date-time":"2014-11-20T18:48:22Z","timestamp":1416509302000},"page":"3417-3438","source":"Crossref","is-referenced-by-count":33,"title":["CLCA: Maximum Common Molecular Substructure Queries within the MetRxn Database"],"prefix":"10.1021","volume":"54","author":[{"given":"Akhil","family":"Kumar","sequence":"first","affiliation":[{"name":"The\rHuck Institutes of the Life Sciences, Pennsylvania State University, University Park, Pennsylvania 16802, United States"}]},{"given":"Costas D.","family":"Maranas","sequence":"additional","affiliation":[{"name":"Department\rof Chemical Engineering, Pennsylvania State University, University Park, Pennsylvania 16802, United States"}]}],"member":"316","published-online":{"date-parts":[[2014,12,1]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"6","DOI":"10.1186\/1471-2105-13-6","volume":"13","author":"Kumar A.","year":"2012","journal-title":"BMC Bioinf."},{"key":"ref2\/cit2","first-page":"97","volume":"29","author":"Weininger D.","year":"1989","journal-title":"J. Chem. Inf. Model."},{"key":"ref3\/cit3","first-page":"31","volume":"28","author":"Weininger D.","year":"1988","journal-title":"J. Chem. Inf. Model."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"560","DOI":"10.1002\/wcms.1140","volume":"3","author":"Chen W. L.","year":"2013","journal-title":"Wiley Interdiscip. Rev. Comput. Mol. Sci."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"495","DOI":"10.1002\/anie.198004953","volume":"19","author":"Jochum C.","year":"1980","journal-title":"Angew. Chem., Int. Ed. Engl."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"432","DOI":"10.1021\/ci9702914","volume":"2338","author":"Faulon J. J.","year":"1998","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref7\/cit7","unstructured":"Garey, M. R.; Johnson, D. S.Computers and Intractability: A Guide to the Theory of NP-Completeness; Series of Books in the Mathematical Sciences;W. H. Freeman:San Francisco, 1979; p340."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"1190","DOI":"10.1021\/ci700433d","volume":"48","author":"Apostolakis J.","year":"2008","journal-title":"J. Chem. Inf. Model."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"2970","DOI":"10.1021\/ci3002217","volume":"52","author":"Latendresse M.","year":"2012","journal-title":"J. Chem. Inf. Model."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","unstructured":"Kouri, T.; Mehta, D.Experimental Algorithms; Lecture Notes in Computer Science;Pardalos, P. M.; Rebennack, S., Eds.Springer:Berlin, Heidelberg, 2011; Vol.6630, pp157\u2013168.","DOI":"10.1007\/978-3-642-20662-7_14"},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1089\/cmb.2009.0216","volume":"18","author":"Heinonen M.","year":"2011","journal-title":"J. Comput. Biol."},{"key":"ref12\/cit12","first-page":"137","volume":"21","author":"McGregor J. J.","year":"1981","journal-title":"J. Chem. Inf. Model."},{"key":"ref13\/cit13","first-page":"154","volume":"18","author":"Lynch M. F.","year":"1978","journal-title":"J. Chem. Inf. Model."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","DOI":"10.1007\/978-3-642-40627-0_59","volume-title":"Principles and Practice of Constraint Programming","volume":"8124","author":"Mann M.","year":"2013"},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"84","DOI":"10.1021\/ci200351b","volume":"52","author":"First E. L.","year":"2012","journal-title":"J. Chem. Inf. Model."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"227","DOI":"10.1016\/0003-2670(92)85028-5","volume":"265","author":"Fontain E.","year":"1992","journal-title":"Anal. Chim. Acta"},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"107","DOI":"10.1021\/c160017a018","volume":"5","author":"Morgan H. L.","year":"1965","journal-title":"J. Chem. Doc."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"117","DOI":"10.1016\/0020-0271(63)90013-5","volume":"1","author":"Vl\u00e9duts G. \u00c9.","year":"1963","journal-title":"Inf. Storage Retr."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"53","DOI":"10.1016\/0898-5529(88)90008-5","volume":"1","author":"Funatsu K.","year":"1988","journal-title":"Tetrahedron Comput. Methodol."},{"key":"ref20\/cit20","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":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"68","DOI":"10.1002\/wcms.5","volume":"1","author":"Ehrlich H.-C.","year":"2011","journal-title":"Wiley Interdiscip. Rev. Comput. Mol. Sci."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"15","DOI":"10.1186\/1472-6807-9-15","volume":"9","author":"Caboche S.","year":"2009","journal-title":"BMC Struct. Biol."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"D742","DOI":"10.1093\/nar\/gkr1014","volume":"40","author":"Caspi R.","year":"2012","journal-title":"Nucleic Acids Res."},{"key":"ref24\/cit24","first-page":"149","volume":"20","author":"Shimizu Y.","year":"2008","journal-title":"Genome Inf. Ser."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"2812","DOI":"10.1021\/ci400326p","volume":"53","author":"Fooshee D.","year":"2013","journal-title":"J. Chem. Inf. Model."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"121","DOI":"10.1038\/msb4100155","volume":"3","author":"Feist A. M.","year":"2007","journal-title":"Mol. Syst. Biol."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"2884","DOI":"10.1021\/ci400442f","volume":"53","author":"Kraut H.","year":"2013","journal-title":"J. Chem. Inf. Model."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"51","DOI":"10.1145\/321556.321562","volume":"17","author":"Corneil D. G.","year":"1970","journal-title":"J. Assoc. Comput. Mach."},{"key":"ref29\/cit29","volume-title":"Fundamentals of Biochemistry: Life at the Molecular Level","author":"Voet D.","year":"2006"},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"11692","DOI":"10.1016\/S0021-9258(19)38452-2","volume":"265","author":"Glasfeld A.","year":"1990","journal-title":"J. Biol. Chem."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"2193","DOI":"10.1351\/pac199668122193","volume":"68","author":"Moss G. P.","year":"1996","journal-title":"Pure Appl. Chem."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"1870","DOI":"10.1016\/S0021-9258(18)96082-5","volume":"242","author":"Rose I. A.","year":"1967","journal-title":"J. Biol. Chem."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"549","DOI":"10.1107\/S0907444902000148","volume":"58","author":"Momany C.","year":"2002","journal-title":"Acta Crystallogr., Sect. D: Biol. Crystallogr."},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"305","DOI":"10.1021\/ci010381f","volume":"42","author":"Raymond J. W.","year":"2002","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"12","DOI":"10.1186\/1758-2946-1-12","volume":"1","author":"Rahman S. A.","year":"2009","journal-title":"J. Cheminf."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"1751","DOI":"10.1021\/ci100061d","volume":"50","author":"Crabtree J. D.","year":"2010","journal-title":"J. Chem. Inf. Model."},{"key":"ref37\/cit37","first-page":"489","volume":"5","author":"Lessard I. A. D.","year":"1998","journal-title":"Chem. Biol. (Oxford, U. K.)"},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"68","DOI":"10.1016\/j.ymben.2006.09.001","volume":"9","author":"Antoniewicz M. R.","year":"2007","journal-title":"Metab. Eng."},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"2236","DOI":"10.1093\/bioinformatics\/btn405","volume":"24","author":"Latino D. a R. S.","year":"2008","journal-title":"Bioinformatics"},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"171","DOI":"10.1038\/nmeth.2803","volume":"11","author":"Rahman S. A.","year":"2014","journal-title":"Nat. Methods"},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"e1000661","DOI":"10.1371\/journal.pcbi.1000661","volume":"6","author":"Egelhofer V.","year":"2010","journal-title":"PLoS Comput. Biol."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"i179","DOI":"10.1093\/bioinformatics\/btp223","volume":"25","author":"Yamanishi Y.","year":"2009","journal-title":"Bioinformatics"},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"1525","DOI":"10.1021\/ci800277f","volume":"49","author":"Sacher O.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"1484","DOI":"10.1016\/j.jmb.2007.02.065","volume":"368","author":"O\u2019Boyle N. M.","year":"2007","journal-title":"J. Mol. Biol."},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"3401","DOI":"10.1093\/bioinformatics\/bti554","volume":"21","author":"Pinter R. Y.","year":"2005","journal-title":"Bioinformatics"},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"219","DOI":"10.1089\/cmb.2010.0280","volume":"18","author":"Ay F.","year":"2011","journal-title":"J. Comput. Biol."},{"key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"34","DOI":"10.1093\/bioinformatics\/16.1.34","volume":"16","author":"Tipton K.","year":"2000","journal-title":"Bioinformatics"},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"111","DOI":"10.1186\/1752-0509-2-111","volume":"2","author":"Li Y.","year":"2008","journal-title":"BMC Syst. Biol."},{"issue":"3","key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"S2","DOI":"10.1186\/1471-2105-13-S3-S2","volume":"13","author":"Ay F.","year":"2012","journal-title":"BMC Bioinf."},{"key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"2684","DOI":"10.1021\/ci300259u","volume":"52","author":"Zhou W.","year":"2012","journal-title":"J. Chem. Inf. Model."},{"key":"ref51\/cit51","doi-asserted-by":"crossref","first-page":"D670","DOI":"10.1093\/nar\/gkq1089","volume":"39","author":"Scheer M.","year":"2011","journal-title":"Nucleic Acids Res."},{"key":"ref52\/cit52","doi-asserted-by":"crossref","first-page":"29","DOI":"10.1093\/nar\/27.1.29","volume":"27","author":"Ogata H.","year":"1999","journal-title":"Nucleic Acids Res."},{"key":"ref53\/cit53","doi-asserted-by":"crossref","first-page":"D754","DOI":"10.1093\/nar\/gkr1126","volume":"40","author":"Alc\u00e1ntara R.","year":"2012","journal-title":"Nucleic Acids Res."},{"key":"ref54\/cit54","doi-asserted-by":"crossref","first-page":"D344","DOI":"10.1093\/nar\/gkm791","volume":"36","author":"Degtyarenko K.","year":"2008","journal-title":"Nucleic Acids Res."},{"key":"ref55\/cit55","doi-asserted-by":"crossref","first-page":"D521","DOI":"10.1093\/nar\/gkl923","volume":"35","author":"Wishart D. S.","year":"2007","journal-title":"Nucleic Acids Res."},{"key":"ref56\/cit56","doi-asserted-by":"crossref","first-page":"R39","DOI":"10.1186\/gb-2007-8-3-r39","volume":"8","author":"Vastrik I.","year":"2007","journal-title":"Genome Biol."},{"key":"ref57\/cit57","volume-title":"OEChem TK","year":"2010"},{"key":"ref58\/cit58","doi-asserted-by":"crossref","first-page":"365","DOI":"10.1246\/cl.1982.365","volume":"4","author":"Yoneda F.","year":"1982","journal-title":"Chem. Lett."},{"key":"ref59\/cit59","doi-asserted-by":"crossref","first-page":"1301","DOI":"10.1021\/jo201913f","volume":"77","author":"Dureau R.","year":"2012","journal-title":"J. Org. Chem."},{"key":"ref60\/cit60","volume-title":"Marvin","year":"2014"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci5003922","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,17]],"date-time":"2023-04-17T23:20:33Z","timestamp":1681773633000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci5003922"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2014,12,1]]},"references-count":60,"journal-issue":{"issue":"12","published-print":{"date-parts":[[2014,12,22]]}},"alternative-id":["10.1021\/ci5003922"],"URL":"https:\/\/doi.org\/10.1021\/ci5003922","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2014,12,1]]}}}