{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,23]],"date-time":"2025-10-23T16:47:25Z","timestamp":1761238045959,"version":"3.40.4"},"reference-count":69,"publisher":"American Chemical Society (ACS)","issue":"12","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2013,12,23]]},"DOI":"10.1021\/ci300516w","type":"journal-article","created":{"date-parts":[[2013,12,1]],"date-time":"2013-12-01T15:36:22Z","timestamp":1385912182000},"page":"3140-3155","source":"Crossref","is-referenced-by-count":10,"title":["Classifier Ensemble Based on Feature Selection and Diversity Measures for Predicting the Affinity of A<sub>2B<\/sub>Adenosine Receptor Antagonists"],"prefix":"10.1021","volume":"53","author":[{"given":"Isis","family":"Bonet","sequence":"first","affiliation":[{"name":"Escuela de Ingenier\u00eda de Antioquia, Envigado, 055428 Antioquia, Colombia"},{"name":"Centro de Estudios de Inform\u00e1tica, Universidad Central \u201cMarta Abreu\u201d de Las Villas, Santa Clara, 54830 Villa Clara, Cuba"}]},{"given":"Pedro","family":"Franco-Montero","sequence":"additional","affiliation":[{"name":"Centro de Estudios de Inform\u00e1tica, Universidad Central \u201cMarta Abreu\u201d de Las Villas, Santa Clara, 54830 Villa Clara, Cuba"}]},{"given":"Virginia","family":"Rivero","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica Org\u00e1nica, Universidade de Vigo, Vigo, 36320 Pontevedra, Espa\u00f1a"}]},{"given":"Marta","family":"Teijeira","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica Org\u00e1nica, Universidade de Vigo, Vigo, 36320 Pontevedra, Espa\u00f1a"}]},{"given":"Fernanda","family":"Borges","sequence":"additional","affiliation":[{"name":"CIQ, Departamento de Qu\u00edmica e Bioqu\u00edmica, Faculdade de Ci\u00eancias, Universidade do Porto, Porto, 4169-007 Porto, Portugal"}]},{"given":"Eugenio","family":"Uriarte","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica Org\u00e1nica. Facultad de Farmacia, Universidad de Santiago de Compostela, Santiago de Compostela, 15782 La Coru\u00f1a, Espa\u00f1a"}]},{"given":"Aliuska","family":"Morales Helguera","sequence":"additional","affiliation":[{"name":"CIQ, Departamento de Qu\u00edmica e Bioqu\u00edmica, Faculdade de Ci\u00eancias, Universidade do Porto, Porto, 4169-007 Porto, Portugal"}]}],"member":"316","published-online":{"date-parts":[[2013,12,10]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"542","DOI":"10.1016\/S1359-6446(99)01421-X","volume":"4","author":"Kaiser S. M.","year":"1999","journal-title":"Drug Discovery Today"},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"479","DOI":"10.1517\/14728214.12.3.479","volume":"12","author":"Gao Z. G.","year":"2007","journal-title":"Expert Opin. Emerging Drugs"},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"527","DOI":"10.1016\/S0031-6997(24)01511-4","volume":"53","author":"Fredholm B. B.","year":"2001","journal-title":"Pharmacol. Rev."},{"key":"ref4\/cit4","volume-title":"Goodman & Gilman\u2019s The Pharmacological Basis of Therapeutics","author":"Brunton L. L.","year":"2007","edition":"11"},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"427","DOI":"10.2174\/1568026033392264","volume":"3","author":"Volpini R.","year":"2003","journal-title":"Curr. Top. Med. Chem."},{"key":"ref6\/cit6","first-page":"410","volume-title":"Handbook of Experimental Pharmacology","volume":"193","author":"Wilson C. N.","year":"2009"},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"2820","DOI":"10.1021\/ci900311j","volume":"49","author":"Michielan L.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"238","DOI":"10.1021\/cr0682195","volume":"108","author":"Baraldi P. G.","year":"2008","journal-title":"Chem. Rev."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"131","DOI":"10.1002\/med.20048","volume":"26","author":"Moro S.","year":"2006","journal-title":"Med. Res. Rev."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","DOI":"10.1002\/9783527613106","volume-title":"Handbook of Molecular Descriptors","author":"Todeschini R.","year":"2000"},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"927","DOI":"10.2174\/156802612800166819","volume":"12","author":"Riera-Fern\u00e1ndez P.","year":"2012","journal-title":"Curr. Top. Med. Chem."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"1015","DOI":"10.2174\/156802607780906771","volume":"7","author":"Gonz\u00e1lez-D\u00edaz H.","year":"2007","journal-title":"Curr. Top. Med. Chem."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"329","DOI":"10.1002\/med.20108","volume":"28","author":"Gonzalez M. P.","year":"2008","journal-title":"Med. Res. Rev."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"797","DOI":"10.1021\/jm201292w","volume":"55","author":"Baraldi P. G.","year":"2012","journal-title":"J. Med. Chem."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"23","DOI":"10.1002\/1521-3838(200105)20:1<23::AID-QSAR23>3.0.CO;2-I","volume":"20","author":"Song Y.","year":"2001","journal-title":"Quant. Struct.-Act. Relat."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"879","DOI":"10.1016\/j.ejmech.2004.07.008","volume":"39","author":"Carotti A.","year":"2004","journal-title":"Eur. J. Med. Chem."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"3494","DOI":"10.2174\/138161207782794257","volume":"13","author":"Tropsha A.","year":"2007","journal-title":"Curr. Pharm. Des."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"658","DOI":"10.1124\/dmd.108.023507","volume":"37","author":"Vasanthanathan P.","year":"2009","journal-title":"Drug Metab. Dispos."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"580","DOI":"10.1016\/j.ejmech.2006.11.016","volume":"42","author":"Gonz\u00e1lez-D\u00edaz H.","year":"2007","journal-title":"Eur. J. Med. Chem."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"1245","DOI":"10.1021\/ci0504317","volume":"46","author":"de Cerqueira Lima P.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"1619","DOI":"10.1109\/TPAMI.2006.211","volume":"28","author":"Rodr\u00edguez J. J.","year":"2006","journal-title":"IEEE Trans. Pattern Anal."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","DOI":"10.1002\/0471660264","volume-title":"Combining Pattern Classifiers, Methods and Algorithms","author":"Kuncheva L. I.","year":"2004"},{"key":"ref23\/cit23","first-page":"123","volume":"24","author":"Breiman L.","year":"1996","journal-title":"Mach. Learn."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"119","DOI":"10.1006\/jcss.1997.1504","volume":"55","author":"Freund Y.","year":"1997","journal-title":"J. Comput. Syst. Sci."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"786","DOI":"10.1021\/ci0500379","volume":"45","author":"Svetnik V.","year":"2005","journal-title":"J. Chem. Inf. Model."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"1271","DOI":"10.1021\/ci200091h","volume":"51","author":"Novotarskyi S.","year":"2012","journal-title":"J. Chem. Inf. Model."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"2163","DOI":"10.1021\/ci034129e","volume":"43","author":"Lanctot J. K.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"989","DOI":"10.1021\/ci600563w","volume":"47","author":"Dutta D.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"582","DOI":"10.1021\/ci034203t","volume":"44","author":"Kovatcheva A.","year":"2004","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"476","DOI":"10.1002\/minf.201000061","volume":"29","author":"Tropsha A.","year":"2010","journal-title":"Mol. Inf."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"2366","DOI":"10.1021\/ci300146h","volume":"52","author":"P\u00e9rez-Castillo Y.","year":"2012","journal-title":"J. Chem. Inf. Model."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"55","DOI":"10.1016\/j.chemolab.2003.10.003","volume":"70","author":"Todeschini R.","year":"2004","journal-title":"Chemom. Intell. Lab. Syst."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"181","DOI":"10.1023\/A:1022859003006","volume":"51","author":"Kuncheva L. I.","year":"2003","journal-title":"Mach. Learn."},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"75","DOI":"10.1016\/j.ejmech.2012.10.035","volume":"59","author":"Helguera A. M.","year":"2012","journal-title":"Eur. J. Med. Chem."},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"4161","DOI":"10.1016\/S0968-0896(03)00484-X","volume":"11","author":"Baraldi P. G.","year":"2003","journal-title":"Bioorg. Med. Chem."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"225","DOI":"10.1002\/ddr.1191","volume":"53","author":"Baraldi P. G.","year":"2001","journal-title":"Drug Dev. Res."},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"315","DOI":"10.1002\/ddr.10167","volume":"58","author":"Baraldi P. G.","year":"2003","journal-title":"Drug Dev. Res."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"4768","DOI":"10.1021\/jm001047y","volume":"43","author":"Baraldi P. G.","year":"2000","journal-title":"J. Med. Chem."},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"2735","DOI":"10.1021\/jm010818a","volume":"44","author":"Baraldi P. G.","year":"2001","journal-title":"J. Med. Chem."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"115","DOI":"10.1021\/jm010924c","volume":"45","author":"Baraldi P. G.","year":"2002","journal-title":"J. Med. Chem."},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"367","DOI":"10.1016\/S0223-5234(03)00042-4","volume":"38","author":"Baraldi P. G.","year":"2003","journal-title":"Eur. J. Med. Chem."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"4287","DOI":"10.1021\/jm030852k","volume":"46","author":"Pastorin G.","year":"2003","journal-title":"J. Med. Chem."},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"1434","DOI":"10.1021\/jm0309654","volume":"47","author":"Baraldi P. G.","year":"2004","journal-title":"J. Med. Chem."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"770","DOI":"10.1021\/jm0109614","volume":"45","author":"Baraldi P. G.","year":"2002","journal-title":"J. Med. Chem."},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"3703","DOI":"10.1021\/jm010570p","volume":"45","author":"Okamura T.","year":"2002","journal-title":"J. Med. Chem."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"1229","DOI":"10.1021\/jm021023m","volume":"46","author":"Baraldi P. G.","year":"2003","journal-title":"J. Med. Chem."},{"key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"2852","DOI":"10.1016\/j.bmc.2008.01.002","volume":"16","author":"Stefanachi A.","year":"2008","journal-title":"Bioorg. Med. Chem."},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"9780","DOI":"10.1016\/j.bmc.2008.09.067","volume":"16","author":"Stefanachi A.","year":"2008","journal-title":"Bioorg. Med. Chem."},{"key":"ref49\/cit49","unstructured":"Dragon for Window (Software for Molecular Descriptors Calculations), version 5.4;Talete srl:Italy, 2006."},{"key":"ref50\/cit50","unstructured":"STATISTICA (data analysis software system), version 8.0;StatSoft Inc:Tulsa, USA, 2007."},{"key":"ref51\/cit51","unstructured":"MOPAC, version 2007;Stewart Computational Chemistry:Colorado Springs, USA, 2007."},{"key":"ref52\/cit52","unstructured":"Molecular Operating Environment, version 2007.09;Chemical Computing Group:Montreal, Canada, 2007."},{"key":"ref53\/cit53","doi-asserted-by":"crossref","first-page":"682","DOI":"10.1021\/ci015504a","volume":"42","author":"Consonni V.","year":"2002","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref54\/cit54","doi-asserted-by":"crossref","first-page":"693","DOI":"10.1021\/ci0155053","volume":"42","author":"Consonni V.","year":"2002","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref55\/cit55","doi-asserted-by":"crossref","first-page":"844","DOI":"10.1021\/ci950187r","volume":"36","author":"Estrada E.","year":"1996","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref56\/cit56","doi-asserted-by":"crossref","first-page":"320","DOI":"10.1021\/ci960113v","volume":"37","author":"Estrada E.","year":"1997","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref57\/cit57","doi-asserted-by":"crossref","first-page":"23","DOI":"10.1021\/ci970030u","volume":"38","author":"Estrada E.","year":"1998","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref58\/cit58","unstructured":"Witten, I.; Frank, E.Data Mining: Practical Machine Learning Tools and Techniques,2nd ed.Diane Cerra:San Francisco, 2005; p525."},{"key":"ref59\/cit59","doi-asserted-by":"crossref","first-page":"2507","DOI":"10.1093\/bioinformatics\/btm344","volume":"23","author":"Saeys Y.","year":"2007","journal-title":"Bioinformatics"},{"key":"ref60\/cit60","unstructured":"Mitchell, T. M.Machine Learning;McGraw-Hill:New York, NY, 1997; p432."},{"volume-title":"C4.5: Programs for Machine Learning;","year":"1993","author":"Quinlan J. R.","key":"ref61\/cit61"},{"key":"ref62\/cit62","doi-asserted-by":"crossref","DOI":"10.1007\/978-1-4757-2440-0","volume-title":"The Nature of Statistical Learning Theory","author":"Vapnik V.","year":"1995"},{"key":"ref63\/cit63","doi-asserted-by":"crossref","first-page":"318","DOI":"10.7551\/mitpress\/5236.001.0001","volume-title":"Parallel distributed processing: explorations in the microstructure of cognition","volume":"1","author":"Rumelhart D. E.","year":"1986"},{"key":"ref64\/cit64","doi-asserted-by":"crossref","first-page":"299","DOI":"10.1109\/TKDE.2005.50","volume":"17","author":"Huang J.","year":"2005","journal-title":"IEEE Trans. Knowl. Data Eng."},{"key":"ref65\/cit65","doi-asserted-by":"crossref","first-page":"381","DOI":"10.1080\/08839510500313653","volume":"20","author":"Daskalaki S.","year":"2006","journal-title":"Appl. Artif. Intell."},{"key":"ref66\/cit66","first-page":"875","volume-title":"Data Mining and Knowledge Discovery Handbook","author":"Chawla N. V.","year":"2010"},{"key":"ref67\/cit67","doi-asserted-by":"crossref","first-page":"171","DOI":"10.1023\/A:1010920819831","volume":"45","author":"Hand D.","year":"2001","journal-title":"Mach. Learn."},{"key":"ref68\/cit68","doi-asserted-by":"crossref","DOI":"10.1007\/978-1-4899-4541-9","volume-title":"An Introduction to the Bootstrap","author":"Efron B.","year":"1993"},{"key":"ref69\/cit69","doi-asserted-by":"crossref","first-page":"572","DOI":"10.1021\/ci100031x","volume":"50","author":"Hawkins P. C. D.","year":"2010","journal-title":"J. Chem. Inf. Model."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci300516w","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,5,1]],"date-time":"2025-05-01T00:52:59Z","timestamp":1746060779000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci300516w"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2013,12,10]]},"references-count":69,"journal-issue":{"issue":"12","published-print":{"date-parts":[[2013,12,23]]}},"alternative-id":["10.1021\/ci300516w"],"URL":"https:\/\/doi.org\/10.1021\/ci300516w","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"type":"print","value":"1549-9596"},{"type":"electronic","value":"1549-960X"}],"subject":[],"published":{"date-parts":[[2013,12,10]]}}}