{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,30]],"date-time":"2026-03-30T21:57:41Z","timestamp":1774907861414,"version":"3.50.1"},"reference-count":32,"publisher":"American Chemical Society (ACS)","issue":"2","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2007,3,1]]},"DOI":"10.1021\/ci600305h","type":"journal-article","created":{"date-parts":[[2007,1,11]],"date-time":"2007-01-11T14:00:24Z","timestamp":1168524024000},"page":"295-301","source":"Crossref","is-referenced-by-count":35,"title":["Molecular Query Language (MQL)A Context-Free Grammar for Substructure Matching"],"prefix":"10.1021","volume":"47","author":[{"given":"Ewgenij","family":"Proschak","sequence":"first","affiliation":[{"name":"Johann Wolfgang Goethe-University, Institute of Organic Chemistry and Chemical Biology, Chair for Chem- and Bioinformatics, Siesmayerstr. 70, D-60323 Frankfurt am Main, Germany, and Tibotec BVBA, Generaal De Wittelaan L11 B3, 2800 Mechelen, Belgium"}]},{"given":"J\u00f6rg K.","family":"Wegner","sequence":"additional","affiliation":[{"name":"Johann Wolfgang Goethe-University, Institute of Organic Chemistry and Chemical Biology, Chair for Chem- and Bioinformatics, Siesmayerstr. 70, D-60323 Frankfurt am Main, Germany, and Tibotec BVBA, Generaal De Wittelaan L11 B3, 2800 Mechelen, Belgium"}]},{"given":"Andreas","family":"Sch\u00fcller","sequence":"additional","affiliation":[{"name":"Johann Wolfgang Goethe-University, Institute of Organic Chemistry and Chemical Biology, Chair for Chem- and Bioinformatics, Siesmayerstr. 70, D-60323 Frankfurt am Main, Germany, and Tibotec BVBA, Generaal De Wittelaan L11 B3, 2800 Mechelen, Belgium"}]},{"given":"Gisbert","family":"Schneider","sequence":"additional","affiliation":[{"name":"Johann Wolfgang Goethe-University, Institute of Organic Chemistry and Chemical Biology, Chair for Chem- and Bioinformatics, Siesmayerstr. 70, D-60323 Frankfurt am Main, Germany, and Tibotec BVBA, Generaal De Wittelaan L11 B3, 2800 Mechelen, Belgium"}]},{"given":"Uli","family":"Fechner","sequence":"additional","affiliation":[{"name":"Johann Wolfgang Goethe-University, Institute of Organic Chemistry and Chemical Biology, Chair for Chem- and Bioinformatics, Siesmayerstr. 70, D-60323 Frankfurt am Main, Germany, and Tibotec BVBA, Generaal De Wittelaan L11 B3, 2800 Mechelen, Belgium"}]}],"member":"316","published-online":{"date-parts":[[2007,1,11]]},"reference":[{"key":"ci600305hb00001\/ci600305hb00001_1","doi-asserted-by":"crossref","unstructured":"Gasteiger, J.Handbook of Chemoinformatics; Wiley-VCH:\u2009 Weinheim, Germany, 2003; p 8.","DOI":"10.1002\/9783527618279"},{"key":"ci600305hb00002\/ci600305hb00002_1","doi-asserted-by":"crossref","first-page":"4199","DOI":"10.1021\/jm0582165","volume":"48","author":"Willett P","year":"2005","journal-title":"J. Med. Chem."},{"key":"ci600305hb00003\/ci600305hb00003_1","volume-title":"http:\/\/www.daylight.com\/dayhtml\/doc\/theory\/theory.toc.html (accessed","author":"Daylight Theory Manual","year":"2006"},{"key":"ci600305hb00004\/ci600305hb00004_1","first-page":"79","volume":"37","author":"Ash S.","year":"1997","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci600305hb00005\/ci600305hb00005_1","doi-asserted-by":"crossref","first-page":"663","DOI":"10.1038\/nrd1799","volume":"4","author":"Schneider G.","year":"2005","journal-title":"Nat. Rev. Drug Discovery"},{"key":"ci600305hb00006\/ci600305hb00006_1","first-page":"251","volume":"3","author":"Van","year":"1989","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ci600305hb00007\/ci600305hb00007_1","first-page":"9","volume":"9","author":"Maliski E. G.","year":"1992","journal-title":"Drug Des. Discovery"},{"key":"ci600305hb00008\/ci600305hb00008_1","volume-title":"Molecular Operating Environment, version","author":"MOE","year":"2005"},{"key":"ci600305hb00009\/ci600305hb00009_1","doi-asserted-by":"crossref","first-page":"36","DOI":"10.1021\/ci00057a006","volume":"28","author":"Weininger D. SMILES, A","year":"1988","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci600305hb00010\/ci600305hb00010_1","unstructured":"Hopcroft, J.; Motwani, R.; Ullmann, J. D.Introduction to AutomataTheory, Languages and Computation; Addison Wesley Publishing Company:\u2009 Boston, MA, 2001; p 169."},{"key":"ci600305hb00011\/ci600305hb00011_1","doi-asserted-by":"crossref","first-page":"77","DOI":"10.1109\/MS.2004.16","volume":"21","author":"Kodaganallur V","year":"2004","journal-title":"IEEE Software"},{"key":"ci600305hb00012\/ci600305hb00012_1","first-page":"736","volume":"7","author":"Knuth D","year":"1964","journal-title":"Commun. ACM"},{"key":"ci600305hb00013\/ci600305hb00013_1","volume-title":"Extensible Markup Language (XML) 1.0","year":"2004"},{"key":"ci600305hb00014\/ci600305hb00014_1","volume-title":"Organic Chemistry","author":"Vollhardt K. P. C.","year":"2002","edition":"4"},{"key":"ci600305hb00015\/ci600305hb00015_1","doi-asserted-by":"crossref","first-page":"538","DOI":"10.1021\/ci00014a001","volume":"33","author":"Barnard J","year":"1993","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci600305hb00016\/ci600305hb00016_1","doi-asserted-by":"crossref","first-page":"107","DOI":"10.1016\/0097-8485(91)80033-I","volume":"15","author":"Dengler A.","year":"1991","journal-title":"Comput. Chem."},{"key":"ci600305hb00017\/ci600305hb00017_1","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1021\/c160016a007","volume":"5","author":"Sussenguth E. H","year":"1965","journal-title":"J. Chem. Doc."},{"key":"ci600305hb00018\/ci600305hb00018_1","unstructured":"Messmer, B. Efficient Graph Matching Algorithms. Ph.D. Thesis, University of Bern, Bern, Switzerland, 1995; p 11ff."},{"key":"ci600305hb00019\/ci600305hb00019_1","doi-asserted-by":"crossref","first-page":"42","DOI":"10.1145\/321921.321925","volume":"23","author":"Ullmann J. R","year":"1976","journal-title":"J. ACM"},{"key":"ci600305hb00020\/ci600305hb00020_1","doi-asserted-by":"crossref","first-page":"1079","DOI":"10.1016\/S0167-8655(02)00253-2","volume":"24","author":"De Santo M.","year":"2003","journal-title":"Pattern Recognit. Lett."},{"key":"ci600305hb00021\/ci600305hb00021_1","first-page":"500","volume":"43","author":"Steinbeck C.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci600305hb00022\/ci600305hb00022_1","doi-asserted-by":"crossref","first-page":"98","DOI":"10.3390\/50100093","volume":"5","author":"Krause S.","year":"2000","journal-title":"Molecules"},{"key":"ci600305hb00023\/ci600305hb00023_1","volume-title":"http:\/\/www.mdl.com\/downloads\/public\/ctfile\/ctfile.pdf (accessed","author":"File Formats","year":"2006"},{"key":"ci600305hb00024\/ci600305hb00024_1","first-page":"998","volume":"46","author":"Guha R.","year":"2005","journal-title":"J. Chem. Inf. Model."},{"key":"ci600305hb00025\/ci600305hb00025_1","first-page":"762","volume":"33","author":"Bush B. L.","year":"1993","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci600305hb00026\/ci600305hb00026_1","doi-asserted-by":"crossref","first-page":"220","DOI":"10.1002\/qsar.200510009","volume":"25","author":"Wegner J. K.","year":"2006","journal-title":"QSAR Comb. Sci."},{"key":"ci600305hb00027\/ci600305hb00027_1","doi-asserted-by":"crossref","first-page":"1411","DOI":"10.1021\/ci034254q","volume":"44","author":"Helma C.","year":"2004","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci600305hb00028\/ci600305hb00028_1","first-page":"178","volume":"44","author":"Bender A.","year":"2004","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci600305hb00029\/ci600305hb00029_1","first-page":"862","volume-title":"Conf. Art. Intel., IJCAI 2001","author":"De Raedt L.","year":"2001"},{"key":"ci600305hb00030\/ci600305hb00030_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":"ci600305hb00031\/ci600305hb00031_1","doi-asserted-by":"crossref","first-page":"236","DOI":"10.1002\/(SICI)1521-3838(199806)17:03<232::AID-QSAR232>3.0.CO;2-A","volume":"17","author":"Gardiner E. J.","year":"1998","journal-title":"Quant. Struct-Act. Relat."},{"key":"ci600305hb00032\/ci600305hb00032_1","first-page":"184","volume":"71","author":"McDonald C. J.","year":"2003","journal-title":"Int. J. Med. Inf."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci600305h","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,3,15]],"date-time":"2023-03-15T04:09:11Z","timestamp":1678853351000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci600305h"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2007,1,11]]},"references-count":32,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2007,3,1]]}},"alternative-id":["10.1021\/ci600305h"],"URL":"https:\/\/doi.org\/10.1021\/ci600305h","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2007,1,11]]}}}