{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,26]],"date-time":"2026-03-26T08:22:25Z","timestamp":1774513345010,"version":"3.50.1"},"reference-count":50,"publisher":"American Chemical Society (ACS)","issue":"3","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2014,3,24]]},"DOI":"10.1021\/ci4006723","type":"journal-article","created":{"date-parts":[[2014,2,4]],"date-time":"2014-02-04T14:47:29Z","timestamp":1391525249000},"page":"720-734","source":"Crossref","is-referenced-by-count":20,"title":["GES Polypharmacology Fingerprints: A Novel Approach for Drug Repositioning"],"prefix":"10.1021","volume":"54","author":[{"given":"Violeta I.","family":"P\u00e9rez-Nueno","sequence":"first","affiliation":[{"name":"Harmonic Pharma, Espace Transfert, 615 rue du Jardin Botanique, 54600 Villers l\u00e8s Nancy, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Arnaud S.","family":"Karaboga","sequence":"additional","affiliation":[{"name":"Harmonic Pharma, Espace Transfert, 615 rue du Jardin Botanique, 54600 Villers l\u00e8s Nancy, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Michel","family":"Souchet","sequence":"additional","affiliation":[{"name":"Harmonic Pharma, Espace Transfert, 615 rue du Jardin Botanique, 54600 Villers l\u00e8s Nancy, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"David W.","family":"Ritchie","sequence":"additional","affiliation":[{"name":"INRIA Nancy \u2212 Grand Est, 615 rue du Jardin Botanique, 54506 Vandoeuvre l\u00e8s Nancy, France"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2014,2,17]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"874","DOI":"10.1002\/cmdc.200700036","volume":"2","author":"Azzaoui K.","year":"2007","journal-title":"ChemMedChem"},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"645","DOI":"10.1038\/448645a","volume":"448","author":"Chong C. R.","year":"2007","journal-title":"Nature"},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"1069","DOI":"10.2174\/15680266113139990028","volume":"13","author":"Carrieri A.","year":"2013","journal-title":"Curr. Top. Med. Chem."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"6802","DOI":"10.1021\/jm060902w","volume":"49","author":"Nettles J. H.","year":"2006","journal-title":"J. Med. Chem."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"197","DOI":"10.1038\/nbt1284","volume":"25","author":"Keiser M. J.","year":"2007","journal-title":"Nat. Biotechnol."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"1615","DOI":"10.1021\/ci0600509","volume":"46","author":"Gregori-Puigjane E.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"543","DOI":"10.1002\/minf.201000055","volume":"29","author":"Vidal D.","year":"2010","journal-title":"Mol. Inf."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"492","DOI":"10.1021\/ci2003544","volume":"52","author":"AbdulHameed M. D. M.","year":"2012","journal-title":"J. Chem. Inf. Model."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"2372","DOI":"10.1021\/ci200060s","volume":"51","author":"Liu X.","year":"2011","journal-title":"J. Chem. Inf. Model."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"1948","DOI":"10.1021\/ci3000979","volume":"52","author":"P\u00e9rez-Nueno V. I.","year":"2012","journal-title":"J. Chem. Inf. Model."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"943","DOI":"10.1021\/ci300083r","volume":"52","author":"Meslamani J.","year":"2012","journal-title":"J. Chem. Inf. Model."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"1049","DOI":"10.1021\/ci800447g","volume":"49","author":"Weill N.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"805","DOI":"10.1038\/nbt1228","volume":"24","author":"Paolini G. V.","year":"2006","journal-title":"Nat. Biotechnol."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"1418","DOI":"10.1021\/ci1001263","volume":"50","author":"Milletti F.","year":"2010","journal-title":"J. Chem. Inf. Model."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"317","DOI":"10.1002\/prot.22345","volume":"76","author":"Weskamp N.","year":"2009","journal-title":"Proteins"},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"113","DOI":"10.2174\/2210289201102010113","volume":"2","author":"P\u00e9rez-Nueno V. I.","year":"2011","journal-title":"Open Conf. Proc. J."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"2322","DOI":"10.1021\/ci400303n","volume":"53","author":"Meslamani J.","year":"2013","journal-title":"J. Chem. Inf. Model."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"134","DOI":"10.1021\/ci2002022","volume":"52","author":"Simon Z.","year":"2012","journal-title":"J. Chem. Inf. Model."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1186\/1472-6807-10-32","volume":"10","author":"Simon Z.","year":"2010","journal-title":"BMC Struct. Biol."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"263","DOI":"10.1126\/science.1158140","volume":"321","author":"Campillos M.","year":"2008","journal-title":"Science"},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"2313","DOI":"10.1021\/ci800079x","volume":"48","author":"Nigsch F.","year":"2008","journal-title":"J. Chem. Inf. Model."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"15","DOI":"10.1021\/ci1001394","volume":"51","author":"Niijima S.","year":"2011","journal-title":"J. Chem. Inf. Model."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"e16999","DOI":"10.1371\/journal.pone.0016999","volume":"6","author":"Takigawa I.","year":"2011","journal-title":"PLoS One"},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"e1002503","DOI":"10.1371\/journal.pcbi.1002503","volume":"8","author":"Cheng F.","year":"2012","journal-title":"PLoS Comput. Biol."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"2466","DOI":"10.1093\/bioinformatics\/btp465","volume":"25","author":"Berger S. I.","year":"2009","journal-title":"Bioinformatics"},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"115","DOI":"10.1016\/j.tips.2009.11.006","volume":"31","author":"Pujol A.","year":"2010","journal-title":"Trends Pharmacol. Sci."},{"key":"ref28\/cit28","unstructured":"CEPOS Mopac;CEPOS InSilico Ltd.:Erlangen, Germany, 2009; http:\/\/www.ceposinsilico.de\/(accessed Oct 3, 2013)."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"383","DOI":"10.1002\/(SICI)1096-987X(199903)20:4<383::AID-JCC1>3.0.CO;2-M","volume":"20","author":"Ritchie D. W.","year":"1999","journal-title":"J. Comput. Chem."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"1010","DOI":"10.1021\/ci050059v","volume":"45","author":"Lin J.","year":"2005","journal-title":"J. Chem. Inf. Model."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"151","DOI":"10.1002\/minf.201000149","volume":"30","author":"P\u00e9rez-Nueno V. I.","year":"2010","journal-title":"Mol. Inf."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"509","DOI":"10.1021\/ci700415g","volume":"48","author":"P\u00e9rez-Nueno V. I.","year":"2008","journal-title":"J. Chem. Inf. Model."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"178","DOI":"10.1002\/(SICI)1097-0134(20000501)39:2<178::AID-PROT8>3.0.CO;2-6","volume":"39","author":"Ritchie D. W.","year":"2000","journal-title":"Proteins: Struct., Funct., Genet."},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"2146","DOI":"10.1021\/ci800257x","volume":"48","author":"P\u00e9rez-Nueno V. I.","year":"2008","journal-title":"J. Chem. Inf. Model."},{"key":"ref35\/cit35","series-title":"Methods and Principles in Medicinal Chemistry","volume-title":"Scaffold Hopping in Medicinal Chemistry","volume":"58","author":"Ritchie D. W.","year":"2013"},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"20","DOI":"10.1016\/j.jmgm.2013.01.003","volume":"41","author":"Karaboga A. S.","year":"2013","journal-title":"J. Mol. Graphics Modell."},{"issue":"1","key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"D901","DOI":"10.1093\/nar\/gkm958","volume":"36","author":"Wishart D. S.","year":"2008","journal-title":"Nucleic Acids Res."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"281","DOI":"10.1089\/106652799318274","volume":"6","author":"Ben-Dor A.","year":"1999","journal-title":"J. Comput. Biol."},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"361","DOI":"10.1038\/nature11159","volume":"486","author":"Lounkine E.","year":"2012","journal-title":"Nature"},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"144","DOI":"10.12688\/f1000research.2-144.v1","volume":"2","author":"Hu Y.","year":"2013","journal-title":"F1000Research"},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"1051","DOI":"10.1039\/b905821b","volume":"5","author":"Mestres J.","year":"2009","journal-title":"Mol. BioSyst."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","DOI":"10.1002\/9781119013563","volume-title":"Statistical Analysis with Missing Data","author":"Little R.","year":"2002","edition":"2"},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"3123","DOI":"10.1016\/j.jspi.2012.06.011","volume":"142","author":"Liu X.","year":"2012","journal-title":"J. Stat. Plann. Inference"},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"431","DOI":"10.1016\/j.jkss.2013.01.004","volume":"42","author":"Mart\u00ednez-Camblor P.","year":"2013","journal-title":"J. Korean Stat. Soc."},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"280","DOI":"10.1007\/s11306-012-0482-9","volume":"9","author":"Xia J.","year":"2013","journal-title":"Metabolomics"},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"344","DOI":"10.2174\/157015908787386113","volume":"6","author":"Cobos E. J.","year":"2008","journal-title":"Curr. Neuropharmacol."},{"key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"1521","DOI":"10.1046\/j.1471-4159.2001.00154.x","volume":"76","author":"Ichikawa J.","year":"2001","journal-title":"J. Neurochem."},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"116","DOI":"10.1038\/nature10743","volume":"482","author":"DeVore N. M.","year":"2012","journal-title":"Nature"},{"key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"253","DOI":"10.1002\/dneu.20855","volume":"71","author":"Ostroumov A.","year":"2011","journal-title":"Dev. Neurobiol."},{"key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"1143","DOI":"10.2337\/db06-0267","volume":"56","author":"Askari B.","year":"2007","journal-title":"Diabetes"},{"key":"ref51\/cit51","doi-asserted-by":"crossref","first-page":"2117","DOI":"10.1016\/S0024-3205(97)00885-0","volume":"61","author":"Phebus L. A.","year":"1997","journal-title":"Life Sci."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci4006723","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,23]],"date-time":"2023-04-23T19:22:39Z","timestamp":1682277759000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci4006723"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2014,2,17]]},"references-count":50,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2014,3,24]]}},"alternative-id":["10.1021\/ci4006723"],"URL":"https:\/\/doi.org\/10.1021\/ci4006723","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2014,2,17]]}}}