{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,9,24]],"date-time":"2025-09-24T10:12:54Z","timestamp":1758708774395},"reference-count":66,"publisher":"American Chemical Society (ACS)","issue":"10","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2009,10,26]]},"DOI":"10.1021\/ci900229c","type":"journal-article","created":{"date-parts":[[2009,9,24]],"date-time":"2009-09-24T19:00:31Z","timestamp":1253818831000},"page":"2376-2381","source":"Crossref","is-referenced-by-count":20,"title":["Do Biologically Relevant Compounds Have More Chance To Be Drugs?"],"prefix":"10.1021","volume":"49","author":[{"given":"De-Xin","family":"Kong","sequence":"first","affiliation":[{"name":"College of Life Science and Technology, Huazhong Agricultural University, Wuhan 430070, China, and Shandong Provincial Research Center for Bioinformatics Engineering and Technique, Center for Advanced Study, Shandong University of Technology, Zibo 255049, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Wei","family":"Ren","sequence":"additional","affiliation":[{"name":"College of Life Science and Technology, Huazhong Agricultural University, Wuhan 430070, China, and Shandong Provincial Research Center for Bioinformatics Engineering and Technique, Center for Advanced Study, Shandong University of Technology, Zibo 255049, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Wei","family":"L\u00fc","sequence":"additional","affiliation":[{"name":"College of Life Science and Technology, Huazhong Agricultural University, Wuhan 430070, China, and Shandong Provincial Research Center for Bioinformatics Engineering and Technique, Center for Advanced Study, Shandong University of Technology, Zibo 255049, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Hong-Yu","family":"Zhang","sequence":"additional","affiliation":[{"name":"College of Life Science and Technology, Huazhong Agricultural University, Wuhan 430070, China, and Shandong Provincial Research Center for Bioinformatics Engineering and Technique, Center for Advanced Study, Shandong University of Technology, Zibo 255049, China"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2009,9,24]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"24","DOI":"10.1038\/sj.tpj.6500216","volume":"4","author":"Buehler L. K.","year":"2004","journal-title":"Pharmagenomics"},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"107","DOI":"10.1038\/nrd2514","volume":"7","author":"Hughes B.","year":"2008","journal-title":"Nat. Rev. Drug Discovery"},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"889","DOI":"10.1016\/j.drudis.2006.08.015","volume":"11","author":"Haney S. A.","year":"2006","journal-title":"Drug Discovery Today"},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"832","DOI":"10.1016\/S1359-6446(01)01927-4","volume":"6","author":"Liptrot C.","year":"2001","journal-title":"Drug Discovery Today"},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"295","DOI":"10.1016\/j.drudis.2007.02.013","volume":"12","author":"Materi W.","year":"2007","journal-title":"Drug Discovery Today"},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"278","DOI":"10.1016\/j.drudis.2008.11.007","volume":"14","author":"Bembenek S. D.","year":"2009","journal-title":"Drug Discovery Today"},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"71","DOI":"10.1038\/nrd1609","volume":"4","author":"Keith C. T.","year":"2005","journal-title":"Nat. Rev. Drug Discovery"},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"34","DOI":"10.1016\/j.drudis.2006.11.008","volume":"12","author":"Zimmermann G. R.","year":"2007","journal-title":"Drug Discovery Today"},{"key":"ref9\/cit9","first-page":"436","volume":"11","author":"Desai M. C.","year":"2008","journal-title":"Curr. Opin. Drug Discovery Dev."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"451","DOI":"10.1126\/science.1116364","volume":"310","author":"Paterson I.","year":"2005","journal-title":"Science"},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"461","DOI":"10.1021\/np068054v","volume":"70","author":"Newman D. J.","year":"2007","journal-title":"J. Nat. Prod."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"2587","DOI":"10.1021\/jm701291u","volume":"51","author":"Ojima I.","year":"2008","journal-title":"J. Med. Chem."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"36","DOI":"10.1039\/b503623b","volume":"1","author":"Balamurugan R.","year":"2005","journal-title":"Mol. Biosyst."},{"key":"ref14\/cit14","first-page":"2879","volume":"41","author":"Breinbauer R.","year":"2002","journal-title":"Angew. Chem., Int. Ed."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"3","DOI":"10.2174\/156802606775193310","volume":"6","author":"Gorse A. D.","year":"2006","journal-title":"Curr. Top. Med. Chem."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"881","DOI":"10.1038\/nrd2445","volume":"6","author":"Leeson P. D.","year":"2007","journal-title":"Nat. Rev. Drug Discovery"},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1016\/S0169-409X(96)00423-1","volume":"23","author":"Lipinski C. A.","year":"1997","journal-title":"Adv. Drug Delivery Rev."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"71","DOI":"10.1038\/nbt1273","volume":"25","author":"Cheng A. C.","year":"2007","journal-title":"Nat. Biotechnol."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"357","DOI":"10.1016\/j.cbpa.2006.06.014","volume":"10","author":"Keller T. H.","year":"2006","journal-title":"Curr. Opin. Chem. Biol."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"55","DOI":"10.1016\/j.compbiolchem.2004.11.003","volume":"29","author":"Sirois S.","year":"2005","journal-title":"Comput. Biol. Chem."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"1577","DOI":"10.1016\/S1359-6446(05)03675-5","volume":"10","author":"Sugiyama Y.","year":"2005","journal-title":"Drug Discovery Today"},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"255","DOI":"10.1016\/j.cbpa.2004.04.003","volume":"8","author":"Hann M. M.","year":"2004","journal-title":"Curr. Opin. Chem. Biol."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"86","DOI":"10.1016\/S1359644602025722","volume":"8","author":"Rishton G. M.","year":"2003","journal-title":"Drug Discovery Today"},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"14","DOI":"10.1016\/S1359-6446(04)02956-3","volume":"9","author":"Modi S.","year":"2004","journal-title":"Drug Discovery Today"},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"853","DOI":"10.1038\/nrd2460","volume":"6","year":"2007","journal-title":"Nat. Rev. Drug Discovery"},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"3313","DOI":"10.1021\/jm049066l","volume":"48","author":"Putta S.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"17272","DOI":"10.1073\/pnas.0503647102","volume":"102","author":"Koch M. A.","year":"2005","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"471","DOI":"10.1016\/S1359-6446(05)03419-7","volume":"10","author":"Koch M. A.","year":"2005","journal-title":"Drug Discovery Today"},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"789","DOI":"10.1021\/np070002y","volume":"70","author":"Larsson J.","year":"2007","journal-title":"J. Nat. Prod."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"287","DOI":"10.1016\/j.cbpa.2007.05.013","volume":"11","author":"Meggers E.","year":"2007","journal-title":"Curr. Opin. Chem. Biol."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"442","DOI":"10.1038\/nchembio0807-442","volume":"3","author":"Shelat A. A.","year":"2007","journal-title":"Nat. Chem. Biol."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"218","DOI":"10.1021\/ci0200467","volume":"43","author":"Feher M.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"42","DOI":"10.1093\/nar\/30.1.42","volume":"30","author":"Kanehisa M.","year":"2002","journal-title":"Nucleic Acids Res."},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"D354","DOI":"10.1093\/nar\/gkj102","volume":"34","author":"Kanehisa M.","year":"2006","journal-title":"Nucleic Acids Res."},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"501","DOI":"10.1002\/qsar.19950140602","volume":"14","author":"Holliday J. D.","year":"1995","journal-title":"Quant. Struct.-Act. Rel."},{"key":"ref36\/cit36","volume-title":"Dictionary of natural products, version 17.1","year":"2008"},{"key":"ref37\/cit37","volume-title":"MDL databases (CMC, ACD-3D, MDDR, ToxFinder), version 2004.1","year":"2004"},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"3314","DOI":"10.1021\/jm970666c","volume":"41","author":"Ajay A.","year":"1998","journal-title":"J. Med. Chem."},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"1315","DOI":"10.1021\/ci0003810","volume":"40","author":"Frimurer T. M.","year":"2000","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"68","DOI":"10.1021\/ci700286x","volume":"48","author":"Ertl P.","year":"2008","journal-title":"J. Chem. Inf. Model."},{"issue":"217","key":"ref41\/cit41","first-page":"219","volume":"66","author":"Ertl P.","year":"2008","journal-title":"Prog. Drug Res."},{"key":"ref42\/cit42","first-page":"115","volume":"1","author":"Grabowski K.","year":"2007","journal-title":"Curr. Chem. Biol."},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"355","DOI":"10.2533\/chimia.2007.355","volume":"61","author":"Wetzel S.","year":"2007","journal-title":"Chimia"},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"380","DOI":"10.1111\/j.1368-5031.2006.00924b.x","volume":"60","author":"Ernst E.","year":"2006","journal-title":"Int. J. Clin. Pract."},{"key":"ref45\/cit45","first-page":"5","volume":"197","year":"2008","journal-title":"New Sci."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"306","DOI":"10.1016\/j.cbpa.2008.03.016","volume":"12","author":"Ganesan A.","year":"2008","journal-title":"Curr. Opin. Chem. Biol."},{"key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"342","DOI":"10.1021\/ci600423u","volume":"47","author":"Fink T.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"1504","DOI":"10.1002\/anie.200462457","volume":"44","author":"Fink T.","year":"2005","journal-title":"Angew. Chem., Int. Ed."},{"key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"R176","DOI":"10.1186\/gb-2007-8-8-r176","volume":"8","author":"Ji H. F.","year":"2007","journal-title":"Genome Biol."},{"key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"6","DOI":"10.1186\/1472-6807-6-6","volume":"6","author":"Sadreyev R. I.","year":"2006","journal-title":"BMC Struct. Biol."},{"key":"ref51\/cit51","doi-asserted-by":"crossref","first-page":"352","DOI":"10.1002\/prot.10336","volume":"51","author":"Leonov H.","year":"2003","journal-title":"Proteins"},{"key":"ref52\/cit52","doi-asserted-by":"crossref","first-page":"408","DOI":"10.1002\/(SICI)1097-0134(19990601)35:4<408::AID-PROT4>3.0.CO;2-A","volume":"35","author":"Govindarajan S.","year":"1999","journal-title":"Proteins"},{"key":"ref53\/cit53","doi-asserted-by":"crossref","first-page":"491","DOI":"10.1002\/prot.10514","volume":"54","author":"Liu X.","year":"2004","journal-title":"Proteins"},{"key":"ref54\/cit54","doi-asserted-by":"crossref","first-page":"205","DOI":"10.1038\/nrd2438","volume":"7","author":"Dobson P. D.","year":"2008","journal-title":"Nat. Rev. Drug Discovery"},{"key":"ref55\/cit55","doi-asserted-by":"crossref","first-page":"1085","DOI":"10.1016\/j.drudis.2006.10.004","volume":"11","author":"Kell D. B.","year":"2006","journal-title":"Drug Discovery Today"},{"key":"ref56\/cit56","doi-asserted-by":"crossref","first-page":"31","DOI":"10.1016\/j.drudis.2008.10.011","volume":"14","author":"Dobson P. D.","year":"2009","journal-title":"Drug Discovery Today"},{"key":"ref57\/cit57","doi-asserted-by":"crossref","first-page":"23","DOI":"10.1007\/s11030-006-9054-0","volume":"11","author":"Gupta S.","year":"2007","journal-title":"Mol. Diversity"},{"key":"ref58\/cit58","doi-asserted-by":"crossref","first-page":"903","DOI":"10.1016\/S1359-6446(02)02411-X","volume":"7","author":"Sheridan R. P.","year":"2002","journal-title":"Drug Discovery Today"},{"key":"ref59\/cit59","doi-asserted-by":"crossref","first-page":"957","DOI":"10.1016\/j.drudis.2006.08.001","volume":"11","author":"Gozalbes R.","year":"2006","journal-title":"Drug Discovery Today"},{"key":"ref60\/cit60","doi-asserted-by":"crossref","first-page":"170","DOI":"10.1021\/ci034207y","volume":"44","author":"Bender A.","year":"2004","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref61\/cit61","doi-asserted-by":"crossref","first-page":"1708","DOI":"10.1021\/ci0498719","volume":"44","author":"Bender A.","year":"2004","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref62\/cit62","volume-title":"Cerius 2, version 4.11L","year":"2006"},{"key":"ref63\/cit63","volume-title":"Pipeline Pilot Student Edition, version 6.1.5","year":"2007"},{"key":"ref64\/cit64","unstructured":"R statistics packages, version 2.6.2;The R Foundation for Statistical Computing: 2008; ISBN 3-900051-07-0."},{"key":"ref65\/cit65","volume-title":"Sybyl, version 7.0","year":"2004"},{"key":"ref66\/cit66","volume-title":"Dragon, version 5.0","year":"2005"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci900229c","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,3,5]],"date-time":"2023-03-05T09:38:03Z","timestamp":1678009083000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci900229c"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2009,9,24]]},"references-count":66,"journal-issue":{"issue":"10","published-print":{"date-parts":[[2009,10,26]]}},"alternative-id":["10.1021\/ci900229c"],"URL":"https:\/\/doi.org\/10.1021\/ci900229c","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2009,9,24]]}}}