{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,13]],"date-time":"2025-10-13T15:24:58Z","timestamp":1760369098288},"reference-count":29,"publisher":"American Chemical Society (ACS)","issue":"7","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2012,7,23]]},"DOI":"10.1021\/ci3001056","type":"journal-article","created":{"date-parts":[[2012,6,15]],"date-time":"2012-06-15T02:07:42Z","timestamp":1339726062000},"page":"1733-1744","source":"Crossref","is-referenced-by-count":14,"title":["Contribution of 2D and 3D Structural Features of Drug Molecules in the Prediction of Drug Profile Matching"],"prefix":"10.1021","volume":"52","author":[{"given":"\u00c1gnes","family":"Peragovics","sequence":"first","affiliation":[{"name":"Department of Biochemistry,\rInstitute of Biology, E\u00f6tv\u00f6s Lor\u00e1nd University, P\u00e1zm\u00e1ny P\u00e9ter s\u00e9t\u00e1ny\r1\/C, H-1117 Budapest, Hungary"},{"name":"Drugmotif Ltd., Szent Erzs\u00e9bet\rkrt. 14, H-2112 Veresegyh\u00e1z, Hungary"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Zolt\u00e1n","family":"Simon","sequence":"additional","affiliation":[{"name":"Drugmotif Ltd., Szent Erzs\u00e9bet\rkrt. 14, H-2112 Veresegyh\u00e1z, Hungary"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ildik\u00f3","family":"Brandhuber","sequence":"additional","affiliation":[{"name":"Drugmotif Ltd., Szent Erzs\u00e9bet\rkrt. 14, H-2112 Veresegyh\u00e1z, Hungary"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Bal\u00e1zs","family":"Jelinek","sequence":"additional","affiliation":[{"name":"Department of Biochemistry,\rInstitute of Biology, E\u00f6tv\u00f6s Lor\u00e1nd University, P\u00e1zm\u00e1ny P\u00e9ter s\u00e9t\u00e1ny\r1\/C, H-1117 Budapest, Hungary"},{"name":"Drugmotif Ltd., Szent Erzs\u00e9bet\rkrt. 14, H-2112 Veresegyh\u00e1z, Hungary"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"P\u00e9ter","family":"H\u00e1ri","sequence":"additional","affiliation":[{"name":"Drugmotif Ltd., Szent Erzs\u00e9bet\rkrt. 14, H-2112 Veresegyh\u00e1z, Hungary"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Csaba","family":"Het\u00e9nyi","sequence":"additional","affiliation":[{"name":"HAS-ELTE Molecular Biophysics Research Group, P\u00e1zm\u00e1ny P\u00e9ter s\u00e9t\u00e1ny.\r1\/C, H-1117 Budapest, Hungary"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"P\u00e1l","family":"Czobor","sequence":"additional","affiliation":[{"name":"Department of Psychiatry and Psychotherapy, Semmelweis University, Balassa utca 6, H-1083 Budapest,\rHungary"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Andr\u00e1s","family":"M\u00e1ln\u00e1si-Csizmadia","sequence":"additional","affiliation":[{"name":"Department of Biochemistry,\rInstitute of Biology, E\u00f6tv\u00f6s Lor\u00e1nd University, P\u00e1zm\u00e1ny P\u00e9ter s\u00e9t\u00e1ny\r1\/C, H-1117 Budapest, Hungary"},{"name":"HAS-ELTE Molecular Biophysics Research Group, P\u00e1zm\u00e1ny P\u00e9ter s\u00e9t\u00e1ny.\r1\/C, H-1117 Budapest, Hungary"},{"name":"Drugmotif Ltd., Szent Erzs\u00e9bet\rkrt. 14, H-2112 Veresegyh\u00e1z, Hungary"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2012,6,29]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"8461","DOI":"10.1021\/jm101020z","volume":"53","author":"Ripphausen P.","year":"2010","journal-title":"J. Med. Chem."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"225","DOI":"10.1016\/j.drudis.2007.01.011","volume":"12","author":"Eckert H.","year":"2007","journal-title":"Drug Discovery Today"},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"983","DOI":"10.1021\/ci9800211","volume":"38","author":"Willett P.","year":"1998","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"1046","DOI":"10.1016\/j.drudis.2006.10.005","volume":"11","author":"Willett P.","year":"2006","journal-title":"Drug Discovery Today"},{"key":"ref5\/cit5","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":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"2079","DOI":"10.1021\/ci100263p","volume":"50","author":"Venkatraman V.","year":"2010","journal-title":"J. Chem. Inf. Model."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"231","DOI":"10.1023\/A:1008793325522","volume":"20","author":"Briem H.","year":"2000","journal-title":"Perspect. Drug Discovery Des."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"107","DOI":"10.1016\/1074-5521(95)90283-X","volume":"2","author":"Kauvar L. M.","year":"1995","journal-title":"Chem. Biol."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"93","DOI":"10.1016\/S0378-4347(98)00045-0","volume":"715","author":"Kauvar L. M.","year":"1998","journal-title":"J. Chromatogr., B: Biomed. Sci. Appl."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"2445","DOI":"10.1021\/ci600197y","volume":"46","author":"Bender A.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"861","DOI":"10.1002\/cmdc.200700026","volume":"2","author":"Bender A.","year":"2007","journal-title":"ChemMedChem."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"3401","DOI":"10.1021\/jm950800y","volume":"39","author":"Briem H.","year":"1996","journal-title":"J. Med. Chem."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"246","DOI":"10.1021\/ci990439e","volume":"40","author":"Lessel U. F.","year":"2000","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"2610","DOI":"10.1021\/ci600334u","volume":"46","author":"Fukunishi Y.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"523","DOI":"10.1021\/jm050480a","volume":"49","author":"Fukunishi Y.","year":"2006","journal-title":"J. Med. Chem."},{"key":"ref16\/cit16","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":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"32","DOI":"10.1186\/1472-6807-10-32","volume":"10","author":"Simon Z.","year":"2010","journal-title":"BMC Struct. Biol."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"1576","DOI":"10.1021\/ci034052u","volume":"43","author":"Hetenyi C.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"18","DOI":"10.1186\/1752-153X-2-18","volume":"2","author":"Jiang X.","year":"2008","journal-title":"Chem. Cent. J."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"1145","DOI":"10.1002\/jcc.20634","volume":"28","author":"Huey R.","year":"2007","journal-title":"J. Comput. Chem."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"11","DOI":"10.1023\/A:1016357811882","volume":"16","author":"Wang R.","year":"2002","journal-title":"J. Comput.-Aided. Mol. Des."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"2534","DOI":"10.1021\/jm049092j","volume":"48","author":"Triballeau N.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"e11955","DOI":"10.1371\/journal.pone.0011955","volume":"5","author":"Chang M. W.","year":"2010","journal-title":"PLoS One."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"488","DOI":"10.1021\/ci600426e","volume":"47","author":"Truchon J. F.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"391","DOI":"10.1021\/ci025569t","volume":"43","author":"Schuffenhauer A.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"746","DOI":"10.1021\/ci000311t","volume":"41","author":"Xue L.","year":"2001","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1021\/ci960373c","volume":"37","author":"Brown R. D.","year":"1997","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"370","DOI":"10.1111\/j.1747-0285.2008.00717.x","volume":"72","author":"Roy K.","year":"2008","journal-title":"Chem. Biol. Drug Des."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"2554","DOI":"10.1016\/j.jprot.2011.05.011","volume":"74","author":"Koutsoukas A.","year":"2011","journal-title":"J. Proteomics."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci3001056","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,22]],"date-time":"2023-04-22T03:57:01Z","timestamp":1682135821000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci3001056"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2012,6,29]]},"references-count":29,"journal-issue":{"issue":"7","published-print":{"date-parts":[[2012,7,23]]}},"alternative-id":["10.1021\/ci3001056"],"URL":"https:\/\/doi.org\/10.1021\/ci3001056","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2012,6,29]]}}}