{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,12,31]],"date-time":"2025-12-31T11:50:51Z","timestamp":1767181851313,"version":"3.35.0"},"reference-count":60,"publisher":"American Chemical Society (ACS)","issue":"9","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2008,9,22]]},"DOI":"10.1021\/ci8000953","type":"journal-article","created":{"date-parts":[[2008,8,12]],"date-time":"2008-08-12T08:00:34Z","timestamp":1218528034000},"page":"1840-1850","source":"Crossref","is-referenced-by-count":33,"title":["Generalized Proteochemometric Model of Multiple Cytochrome P450 Enzymes and Their Inhibitors"],"prefix":"10.1021","volume":"48","author":[{"given":"Aleksejs","family":"Kontijevskis","sequence":"first","affiliation":[{"name":"Department of Pharmaceutical Biosciences and Linnaeus Centre for Bioinformatics, Uppsala University, Uppsala, Sweden"}]},{"given":"Jan","family":"Komorowski","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Biosciences and Linnaeus Centre for Bioinformatics, Uppsala University, Uppsala, Sweden"}]},{"given":"Jarl E. S.","family":"Wikberg","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Biosciences and Linnaeus Centre for Bioinformatics, Uppsala University, Uppsala, Sweden"}]}],"member":"316","published-online":{"date-parts":[[2008,8,12]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"231","DOI":"10.2174\/138920006776359329","volume":"7","author":"Bu H-Z.","year":"2006","journal-title":"Curr. Drug. Metab."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"159","DOI":"10.1081\/DMR-120033996","volume":"36","author":"Guengerich F. P.","year":"2004","journal-title":"Drug Metab. Rev."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"987","DOI":"10.1136\/bmj.320.7240.987","volume":"320","author":"Wolf C. R.","year":"2000","journal-title":"Br. Med. J."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"1609","DOI":"10.2174\/156802606778108951","volume":"6","author":"Arimoto R.","year":"2006","journal-title":"Curr. Top. Med. Chem."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"385","DOI":"10.2165\/00044011-200222060-00006","volume":"22","author":"Doucet J.","year":"2002","journal-title":"Clin. Drug Invest."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"493","DOI":"10.2165\/00003088-200038060-00003","volume":"38","author":"Fuhr U.","year":"2000","journal-title":"Clin. Pharmacokinet."},{"key":"ref7\/cit7","unstructured":"Haining, R. L.; Yu, A.InDrug Metabolizing Enzymes: Cytochrome P450 and Other Enzymes in Drug Discovery and Development;Fisher, M.; Lee, J.; Obach, S.,Eds.FontisMedia:Lausanne, Switzerland,2003; pp375\u2212415"},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"1227","DOI":"10.2174\/1568026033451998","volume":"3","author":"Vermeulen N. P. E.","year":"2003","journal-title":"Curr. Top. Med. Chem."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"443","DOI":"10.1023\/A:1021281008423","volume":"16","author":"Afzelius L.","year":"2002","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"907","DOI":"10.1021\/jm030972s","volume":"47","author":"Afzelius L.","year":"2004","journal-title":"J. Med. Chem."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"909","DOI":"10.1124\/mol.59.4.909","volume":"59","author":"Afzelius L.","year":"2001","journal-title":"Mol. Pharmacol."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"197","DOI":"10.1177\/1087057104274091","volume":"10","author":"Arimoto R.","year":"2005","journal-title":"J. Biomol. Screen."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"5154","DOI":"10.1021\/jm048959a","volume":"48","author":"Chohan K. K.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ref14\/cit14","first-page":"251","volume":"96","author":"Crivori P.","year":"2005","journal-title":"Pharmacol. Toxicol."},{"key":"ref15\/cit15","first-page":"477","volume":"9","author":"Ekins S.","year":"1999","journal-title":"Pharmacogenetics"},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"429","DOI":"10.1016\/S0022-3565(24)34917-1","volume":"290","author":"Ekins S.","year":"1999","journal-title":"J. Pharmacol. Exp. Ther."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"994","DOI":"10.1016\/S0090-9556(24)15175-6","volume":"28","author":"Ekins S.","year":"2002","journal-title":"Drug Metab. Dispos."},{"key":"ref18\/cit18","first-page":"936","volume":"29","author":"Ekins S.","year":"2001","journal-title":"Drug Metab. Dispos."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"161","DOI":"10.1016\/S0165-6147(03)00049-X","volume":"24","author":"Ekins S.","year":"2003","journal-title":"Trends Pharmacol. Sci."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"450","DOI":"10.1021\/tx025674x","volume":"16","author":"Hutzler J. M.","year":"2003","journal-title":"Chem. Res. Toxicol."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"449","DOI":"10.1385\/1-59259-802-1:449","volume":"275","author":"Jalaie M.","year":"2004","journal-title":"Methods Mol. Biol."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/S0090-9556(25)07237-X","volume":"24","author":"Jones J. P.","year":"1996","journal-title":"Drug Metab. Dispos."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"5340","DOI":"10.1021\/jm049934e","volume":"47","author":"Kemp C. A.","year":"2004","journal-title":"J. Med. Chem."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"3808","DOI":"10.1021\/jm0489713","volume":"48","author":"Korhonen L. E.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"189","DOI":"10.1007\/s10822-005-3785-3","volume":"19","author":"Kriegl J. M.","year":"2005","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"451","DOI":"10.1016\/j.ejps.2004.12.009","volume":"24","author":"Kriegl J. M.","year":"2005","journal-title":"Eur. J. Pharm. Sci."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"321","DOI":"10.1080\/14756360109162380","volume":"16","author":"Lewis D. F. V.","year":"2001","journal-title":"J. Enzyme Inhib."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"127","DOI":"10.1080\/14756360500532747","volume":"21","author":"Lewis D. F. V.","year":"2006","journal-title":"J. Enzyme Inhib. Med. Chem."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"69","DOI":"10.1081\/DMR-120001391","volume":"34","author":"Lewis D. F. V.","year":"2002","journal-title":"Drug Metab. Rev."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"534","DOI":"10.1124\/dmd.105.007625","volume":"34","author":"Marechal J. D.","year":"2006","journal-title":"Drug Metab. Dispos."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"419","DOI":"10.1016\/S0960-894X(01)00771-5","volume":"12","author":"Molnar L.","year":"2002","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"336","DOI":"10.1124\/jpet.105.093229","volume":"316","author":"Obach R. S.","year":"2006","journal-title":"J. Pharmacol. Exp. Ther."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"440","DOI":"10.1021\/jm049536b","volume":"48","author":"Rahnasto M.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"2789","DOI":"10.1021\/jm000048n","volume":"43","author":"Rao S.","year":"2000","journal-title":"J. Med. Chem."},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"652","DOI":"10.1023\/A:1011085411050","volume":"18","author":"Riley R. J.","year":"2001","journal-title":"Pharm. Res."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"1136","DOI":"10.1021\/jm00061a004","volume":"36","author":"Strobl G. R.","year":"1993","journal-title":"J. Med. Chem."},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"1308","DOI":"10.1021\/ci030283p","volume":"43","author":"Susnow R. G.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"1401","DOI":"10.1023\/A:1025702009611","volume":"20","author":"Wanchana S.","year":"2003","journal-title":"Pharm. Res. (N. Y.)"},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"982","DOI":"10.1021\/ci0500536","volume":"45","author":"Yap C. W.","year":"2005","journal-title":"J. Chem. Inf. Model."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"249","DOI":"10.1002\/1521-3838(200208)21:3<249::AID-QSAR249>3.0.CO;2-S","volume":"21","author":"Zuegge J.","year":"2002","journal-title":"Quant. Struct.-Act. Relat."},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1002\/prot.21461","volume":"69","author":"Kontijevskis A.","year":"2007","journal-title":"Proteins"},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"e48","DOI":"10.1371\/journal.pcbi.0030048","volume":"3","author":"Kontijevskis A.","year":"2007","journal-title":"PLoS Comput. Biol."},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"305","DOI":"10.1093\/protein\/15.4.305","volume":"15","author":"Prusis P.","year":"2002","journal-title":"Protein Eng."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"167","DOI":"10.1186\/1471-2105-7-167","volume":"7","author":"Prusis P.","year":"2006","journal-title":"BMC Bioinformatics"},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"1465","DOI":"10.1124\/mol.61.6.1465","volume":"61","author":"Lapinsh M.","year":"2002","journal-title":"Mol. Pharmacol."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"2572","DOI":"10.1021\/jm020945m","volume":"46","author":"Lapinsh M.","year":"2003","journal-title":"J. Med. Chem."},{"key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"289","DOI":"10.1002\/3527603948.ch10","volume-title":"Chemogenomics in Drug Discovery - A Medicinal Chemistry Perspective","author":"Wikberg J. E. S.","year":"2004"},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"307","DOI":"10.1038\/nrd2331","volume":"7","author":"Wikberg J.","year":"2008","journal-title":"Nat. Rev. Drug Discovery"},{"key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"537","DOI":"10.1016\/0898-5529(90)90156-3","volume":"3","author":"Gasteiger J.","year":"1990","journal-title":"Tetrahedron Comput. Methodol."},{"key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"3233","DOI":"10.1021\/jm000941m","volume":"43","author":"Pastor M.","year":"2000","journal-title":"J. Med. Chem."},{"key":"ref51\/cit51","doi-asserted-by":"crossref","first-page":"2805","DOI":"10.1021\/jm0311240","volume":"47","author":"Fontaine F.","year":"2004","journal-title":"J. Med. Chem."},{"key":"ref52\/cit52","doi-asserted-by":"crossref","first-page":"2481","DOI":"10.1021\/jm9700575","volume":"41","author":"Sandberg M.","year":"1998","journal-title":"J. Med. Chem."},{"key":"ref53\/cit53","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/0003-2670(86)80028-9","volume":"185","author":"Geladi P.","year":"1986","journal-title":"Anal. Chim. Acta"},{"key":"ref54\/cit54","unstructured":"Eriksson, L.; Johansson, E.; Kettaneh-Wold, N.; Wold, S. PLS.InMulti- and Megavariate Data Analysis Principles and Applications;Eriksson, L.; Johansson, E.; Kettaneh-Wold, N.; Wold, S., Eds.Umetrics Academy:Ume\u00e5,2001; pp71\u2212112"},{"key":"ref55\/cit55","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1016\/S0169-7439(98)00065-3","volume":"42","author":"Lundstedt T.","year":"1998","journal-title":"Chemom. Intell. Lab. Syst."},{"key":"ref56\/cit56","doi-asserted-by":"crossref","first-page":"507","DOI":"10.1002\/qsar.19950140603","volume":"14","author":"Poso A.","year":"1995","journal-title":"Quant. Struct.-Act. Relat."},{"key":"ref57\/cit57","doi-asserted-by":"crossref","first-page":"195","DOI":"10.1023\/A:1008102217770","volume":"15","author":"Poso A.","year":"2001","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref58\/cit58","doi-asserted-by":"crossref","first-page":"994","DOI":"10.1016\/S0090-9556(24)15175-6","volume":"28","author":"Ekins S.","year":"2000","journal-title":"Drug Metab. Dispos."},{"key":"ref59\/cit59","doi-asserted-by":"crossref","first-page":"1287","DOI":"10.1021\/jm049254b","volume":"48","author":"O\u2019Brien S. E.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ref60\/cit60","doi-asserted-by":"crossref","first-page":"1077","DOI":"10.1124\/dmd.31.9.1077","volume":"31","author":"Ekins S.","year":"2003","journal-title":"Drug Metab. Dispos."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci8000953","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,1,31]],"date-time":"2025-01-31T11:48:39Z","timestamp":1738324119000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci8000953"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2008,8,12]]},"references-count":60,"journal-issue":{"issue":"9","published-print":{"date-parts":[[2008,9,22]]}},"alternative-id":["10.1021\/ci8000953"],"URL":"https:\/\/doi.org\/10.1021\/ci8000953","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"type":"print","value":"1549-9596"},{"type":"electronic","value":"1549-960X"}],"subject":[],"published":{"date-parts":[[2008,8,12]]}}}