{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,2]],"date-time":"2025-11-02T10:30:00Z","timestamp":1762079400711},"reference-count":82,"publisher":"Informa UK Limited","issue":"4","content-domain":{"domain":["www.tandfonline.com"],"crossmark-restriction":true},"short-container-title":["Journal of Enzyme Inhibition and Medicinal Chemistry"],"published-print":{"date-parts":[[2014,8,1]]},"DOI":"10.3109\/14756366.2013.833196","type":"journal-article","created":{"date-parts":[[2013,9,19]],"date-time":"2013-09-19T08:11:02Z","timestamp":1379578262000},"page":"599-610","update-policy":"http:\/\/dx.doi.org\/10.1080\/tandf_crossmark_01","source":"Crossref","is-referenced-by-count":13,"title":["PLS and shape-based similarity analysis of maleimides \u2013 GSK-3 inhibitors"],"prefix":"10.1080","volume":"29","author":[{"given":"Luminita","family":"Crisan","sequence":"first","affiliation":[{"name":"Department of Computational Chemistry, Institute of Chemistry of Romanian Academy TimisoaraRomania"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Liliana","family":"Pacureanu","sequence":"additional","affiliation":[{"name":"Department of Computational Chemistry, Institute of Chemistry of Romanian Academy TimisoaraRomania"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sorin","family":"Avram","sequence":"additional","affiliation":[{"name":"Department of Computational Chemistry, Institute of Chemistry of Romanian Academy TimisoaraRomania"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Alina","family":"Bora","sequence":"additional","affiliation":[{"name":"Department of Computational Chemistry, Institute of Chemistry of Romanian Academy TimisoaraRomania"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Speranta","family":"Avram","sequence":"additional","affiliation":[{"name":"Department of Anatomy, Animal Physiology and Biophysics, Faculty of Biology, University of Bucharest BucharestRomania"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ludovic","family":"Kurunczi","sequence":"additional","affiliation":[{"name":"Department of Physical Chemistry, Faculty of Pharmacy, University of Medicine and Pharmacy \u201cVictor Babes\u201d TimisoaraRomania"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"301","published-online":{"date-parts":[[2013,9,19]]},"reference":[{"key":"CIT0001","doi-asserted-by":"publisher","DOI":"10.1038\/nbt1068"},{"key":"CIT0002","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1042\/bj3590001","volume":"356","author":"Frame S","year":"2001","journal-title":"Biochem J"},{"key":"CIT0003","doi-asserted-by":"publisher","DOI":"10.1242\/jcs.00384"},{"key":"CIT0004","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.272.40.25326"},{"key":"CIT0005","first-page":"833","volume":"8","author":"Nikolakaki E","year":"1993","journal-title":"Oncogene"},{"key":"CIT0006","doi-asserted-by":"publisher","DOI":"10.1016\/S0014-5793(97)01548-2"},{"key":"CIT0007","doi-asserted-by":"crossref","first-page":"557","DOI":"10.1358\/dnp.2003.16.9.829337","volume":"16","author":"Wauwe JV","year":"2003","journal-title":"Drug News Perspect"},{"key":"CIT0008","doi-asserted-by":"crossref","first-page":"1504","DOI":"10.1002\/jcb.21374","volume":"102","author":"Kulkarni NH","year":"2007","journal-title":"J Cell Biochem"},{"key":"CIT0009","doi-asserted-by":"publisher","DOI":"10.1038\/378785a0"},{"key":"CIT0010","doi-asserted-by":"publisher","DOI":"10.1128\/MCB.19.12.8433"},{"key":"CIT0011","doi-asserted-by":"publisher","DOI":"10.1038\/nrd1415"},{"key":"CIT0012","doi-asserted-by":"publisher","DOI":"10.1016\/S0960-894X(00)00721-6"},{"key":"CIT0013","doi-asserted-by":"publisher","DOI":"10.1021\/jm031016d"},{"key":"CIT0014","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2003.10.062"},{"key":"CIT0015","doi-asserted-by":"crossref","first-page":"3389","DOI":"10.1016\/j.ejmech.2010.04.026","volume":"45","author":"Ibrahim N","year":"2010","journal-title":"Eur J Med Chem"},{"key":"CIT0016","doi-asserted-by":"crossref","first-page":"5","DOI":"10.1021\/cn200085z","volume":"3","author":"Chen PC","year":"2012","journal-title":"ACS Chem Neurosci"},{"key":"CIT0017","doi-asserted-by":"publisher","DOI":"10.1016\/S1074-5521(00)00025-9"},{"key":"CIT0018","doi-asserted-by":"publisher","DOI":"10.1046\/j.1471-4159.2001.t01-1-00251.x"},{"key":"CIT0019","doi-asserted-by":"crossref","first-page":"288","DOI":"10.1016\/S0014-5793(01)02990-8","volume":"507","author":"Culbert AA","year":"2001","journal-title":"FEBS Lett"},{"key":"CIT0020","doi-asserted-by":"publisher","DOI":"10.1289\/ehp.5758"},{"key":"CIT0021","doi-asserted-by":"publisher","DOI":"10.1002\/qsar.200390007"},{"key":"CIT0022","doi-asserted-by":"publisher","DOI":"10.2174\/138161207782794257"},{"key":"CIT0023","doi-asserted-by":"crossref","first-page":"2290","DOI":"10.1021\/mp300156r","volume":"9","author":"Broccatelli F","year":"2012","journal-title":"Mol Pharmaceutics"},{"key":"CIT0024","doi-asserted-by":"publisher","DOI":"10.1021\/jm101020z"},{"key":"CIT0025","doi-asserted-by":"crossref","first-page":"1489","DOI":"10.1021\/jm040163o","volume":"48","author":"Rush TS","year":"2005","journal-title":"J Med Chem"},{"key":"CIT0026","doi-asserted-by":"crossref","first-page":"1715","DOI":"10.1021\/ci900118v","volume":"49","author":"Tuccinardi T","year":"2009","journal-title":"J Chem Inf Model"},{"key":"CIT0027","doi-asserted-by":"publisher","DOI":"10.1021\/ci700253h"},{"key":"CIT0028","doi-asserted-by":"crossref","first-page":"8210","DOI":"10.1016\/j.bmc.2006.09.021","volume":"14","author":"Sivaprakasam P","year":"2006","journal-title":"Bioorg Med Chem"},{"key":"CIT0029","doi-asserted-by":"crossref","first-page":"4987","DOI":"10.1016\/j.bmc.2006.03.009","volume":"14","author":"Katritzky AR","year":"2006","journal-title":"Bioorg Med Chem"},{"key":"CIT0030","doi-asserted-by":"crossref","first-page":"113","DOI":"10.1007\/s10822-008-9244-1","volume":"23","author":"Sivaprakasam P","year":"2009","journal-title":"J Comput Aided Mol Des"},{"key":"CIT0031","doi-asserted-by":"crossref","first-page":"708","DOI":"10.1021\/ci050008y","volume":"45","author":"Lescot E","year":"2005","journal-title":"J Chem Inf Model"},{"key":"CIT0032","doi-asserted-by":"crossref","first-page":"1014","DOI":"10.1016\/j.ejmech.2007.01.010","volume":"42","author":"Dessalew N","year":"2007","journal-title":"Eur J Med Chem"},{"key":"CIT0033","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2004.12.063"},{"key":"CIT0034","unstructured":"MarvinSketch. 2010. version 5.4, ChemAxon, Available from: http:\/\/www.chemaxon.com [last accessed 16 Feb 2011]"},{"key":"CIT0035","unstructured":"HyperChem 7.52 release for Windows, HyperCube, Inc. Gainesville, FL. Available from: http:\/\/www.hyper.com [last accessed 20 Dec 2012]"},{"key":"CIT0036","doi-asserted-by":"publisher","DOI":"10.1021\/ja00299a024"},{"key":"CIT0037","unstructured":"Dragon - a software for the calculation of molecular descriptors, version 3.0; 2003. Available from: http:\/\/www.talete.mi.it [last accessed 16 Jan 2013]"},{"key":"CIT0038","first-page":"209","volume":"27","author":"Nathan Mantel","year":"1967","journal-title":"Cancer Res"},{"key":"CIT0039","first-page":"1","volume":"22","author":"Stephane Dray","year":"2007","journal-title":"J Statis Software"},{"key":"CIT0040","unstructured":"R: a language and environment for statistical computing, R Core Team, R Foundation for Statistical Computing, Vienna, Austria, 2012, ISBN 3-900051-07-0, Available from: http:\/\/www.R-project.org\/ [last accessed 7 Mar 2013]"},{"key":"CIT0041","first-page":"523","volume-title":"3D QSAR in drug design; theory, methods, and applications","author":"Wold S","year":"1993"},{"key":"CIT0042","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemolab.2004.04.004"},{"key":"CIT0043","unstructured":"SIMCA P, version 9.0, Umetrics AB: Umea, Sweden. Available from: http:\/\/www.umetrics.com [last accessed 29 Jan 2013]"},{"key":"CIT0044","doi-asserted-by":"publisher","DOI":"10.1080\/14786440109462720"},{"key":"CIT0045","first-page":"489","volume":"92","author":"Eriksson L","year":"2001","journal-title":"Umea: Umetrics AB, Sweden"},{"key":"CIT0046","doi-asserted-by":"publisher","DOI":"10.1016\/S1093-3263(01)00123-1"},{"key":"CIT0047","doi-asserted-by":"publisher","DOI":"10.1023\/A:1020869118689"},{"key":"CIT0048","doi-asserted-by":"publisher","DOI":"10.1023\/A:1025386326946"},{"key":"CIT0049","unstructured":"OpenEye Scientific Software. 2008. OMEGA, version 2.3.2. OpenEye Scientific Software, Santa Fe NM 87508. Available from: http:\/\/www.eyesopen.com [last accessed 10 Jan 2013]"},{"key":"CIT0050","doi-asserted-by":"publisher","DOI":"10.1021\/ci100031x"},{"key":"CIT0051","doi-asserted-by":"publisher","DOI":"10.1021\/jm030563w"},{"key":"CIT0052","doi-asserted-by":"publisher","DOI":"10.1021\/ci300314k"},{"key":"CIT0053","doi-asserted-by":"publisher","DOI":"10.1016\/S1093-3263(02)00204-8"},{"key":"CIT0054","unstructured":"OpenEye Scientific Software. 2010. ROCS version 3.1.0 Santa Fe NM 87508. Available from: http:\/\/www.eyesopen.com [last accessed 12 Feb 2013]"},{"key":"CIT0055","unstructured":"RCSB Protein Data Bank. Available from: http:\/\/www.rcsb.org\/pdb\/home\/home.do [last accessed 15 Dec 2012]"},{"key":"CIT0056","doi-asserted-by":"publisher","DOI":"10.1021\/jm0603365"},{"key":"CIT0057","first-page":"25 (1--14)","volume":"3","author":"Kim S","year":"2011","journal-title":"J Cheminform"},{"key":"CIT0058","doi-asserted-by":"publisher","DOI":"10.1098\/rsta.1896.0007"},{"key":"CIT0059","unstructured":"R Core Team R: A language and environment for statistical computing. version 2.11.1, 2010, R Foundation for Statistical Computing, Vienna, Austria 2012. Available from: http:\/\/www.R-project.org [last accessed 3 Mar 2013]"},{"key":"CIT0060","doi-asserted-by":"publisher","DOI":"10.1093\/biomet\/30.1-2.81"},{"key":"CIT0061","doi-asserted-by":"publisher","DOI":"10.2307\/1412107"},{"key":"CIT0062","doi-asserted-by":"crossref","unstructured":"Young DG. Computational drug design: a guide for computational and medicinal chemists. New Jersey: John Wiley & Sons Inc.; 2009. p. 175","DOI":"10.1002\/9780470451854"},{"key":"CIT0063","doi-asserted-by":"publisher","DOI":"10.1158\/1535-7163.MCT-09-0195"},{"key":"CIT0064","doi-asserted-by":"publisher","DOI":"10.1021\/jp953224q"},{"key":"CIT0065","volume-title":"Molecular connectivity in structure--activity analysis","author":"Kier LB","year":"1986"},{"key":"CIT0066","doi-asserted-by":"crossref","first-page":"8","DOI":"10.1002\/qsar.19870060103","volume":"6","author":"Kier LB","year":"1987","journal-title":"Quant Struct Act Relat"},{"key":"CIT0067","doi-asserted-by":"crossref","first-page":"1696","DOI":"10.1897\/01-363","volume":"23","author":"Dearden JC","year":"2003","journal-title":"Environ Toxicol Chem"},{"key":"CIT0068","doi-asserted-by":"publisher","DOI":"10.1021\/ci00019a008"},{"key":"CIT0069","unstructured":"Barysz M, Jashari G, Lall RS, et al. Chemical applications of topology and graph theory. Amsterdam: Elsevier Holland; 1983: 222\u201330"},{"key":"CIT0070","first-page":"359","volume":"4","author":"Moreau G","year":"1980","journal-title":"Nouv J Chim"},{"key":"CIT0071","doi-asserted-by":"publisher","DOI":"10.1007\/s11538-005-9006-3"},{"key":"CIT0072","doi-asserted-by":"crossref","first-page":"334","DOI":"10.1021\/ci950164c","volume":"36","author":"Schuur J","year":"1996","journal-title":"J Chem Inf Comput Sci"},{"key":"CIT0073","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2010.05.052"},{"key":"CIT0074","unstructured":"Yvonne Connolly Martin 3D QSAR: current state, scope, and limitations. In: Kubinyi H, Folkers G, Martin YC, eds. 3D QSAR in drug design: recent advances. Dordrecht: Kluwer\/ESCOM Academic Publisher; 1998:9\u201311"},{"key":"CIT0075","doi-asserted-by":"crossref","first-page":"1996","DOI":"10.1021\/ci060134h","volume":"46","author":"Chen Q","year":"2006","journal-title":"J Chem Inf Model"},{"key":"CIT0076","unstructured":"Maestro, version 9.3, 2012, Schrodinger, LLC, New York, NY"},{"key":"CIT0077","doi-asserted-by":"crossref","first-page":"2881","DOI":"10.1093\/bioinformatics\/btq550","volume":"26","author":"Cheng T","year":"2010","journal-title":"Bioinformatics"},{"key":"CIT0078","doi-asserted-by":"crossref","first-page":"889","DOI":"10.1021\/ci700368p","volume":"48","author":"Ebalunode JO","year":"2008","journal-title":"J Chem Inf Model"},{"key":"CIT0079","doi-asserted-by":"crossref","first-page":"2123","DOI":"10.1021\/jp992268m","volume":"104","author":"Becker OM","year":"2000","journal-title":"J Phys Chem B"},{"key":"CIT0080","doi-asserted-by":"publisher","DOI":"10.1021\/ci0503255"},{"key":"CIT0081","unstructured":"Discovery Studio Visualizer-Accelrys, version 2.5, 2009, San Diego, CA"},{"key":"CIT0082","doi-asserted-by":"crossref","first-page":"1559","DOI":"10.1007\/s00706-012-0816-3","volume":"143","author":"Pacureanu L","year":"2012","journal-title":"Monatsh Chem"}],"container-title":["Journal of Enzyme Inhibition and Medicinal Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.tandfonline.com\/doi\/pdf\/10.3109\/14756366.2013.833196","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,7,4]],"date-time":"2023-07-04T17:46:29Z","timestamp":1688492789000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.tandfonline.com\/doi\/full\/10.3109\/14756366.2013.833196"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2013,9,19]]},"references-count":82,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2014,8,1]]}},"alternative-id":["10.3109\/14756366.2013.833196"],"URL":"https:\/\/doi.org\/10.3109\/14756366.2013.833196","relation":{},"ISSN":["1475-6366","1475-6374"],"issn-type":[{"value":"1475-6366","type":"print"},{"value":"1475-6374","type":"electronic"}],"subject":[],"published":{"date-parts":[[2013,9,19]]},"assertion":[{"value":"The publishing and review policy for this title is described in its Aims & Scope.","order":1,"name":"peerreview_statement","label":"Peer Review Statement"},{"value":"http:\/\/www.tandfonline.com\/action\/journalInformation?show=aimsScope&journalCode=ienz20","URL":"http:\/\/www.tandfonline.com\/action\/journalInformation?show=aimsScope&journalCode=ienz20","order":2,"name":"aims_and_scope_url","label":"Aim & Scope"},{"value":"2013-05-07","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2013-08-06","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2014-07-14","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}