{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,20]],"date-time":"2026-05-20T03:55:38Z","timestamp":1779249338168,"version":"3.51.4"},"reference-count":46,"publisher":"American Chemical Society (ACS)","issue":"7","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2009,7,27]]},"DOI":"10.1021\/ci900011g","type":"journal-article","created":{"date-parts":[[2009,6,22]],"date-time":"2009-06-22T15:38:02Z","timestamp":1245685082000},"page":"1643-1654","source":"Crossref","is-referenced-by-count":24,"title":["E<sub>a<\/sub>MEAD: Activation Energy Prediction of Cytochrome P450 Mediated Metabolism with Effective Atomic Descriptors"],"prefix":"10.1021","volume":"49","author":[{"given":"Doo Nam","family":"Kim","sequence":"first","affiliation":[{"name":"Bioinformatics and Molecular Design Research Center, Seoul 120-749, Korea, Graduate Program in Functional Genomics, Yonsei University, Seoul 120-749, Korea, Department of Bioinformatics and CAMD Research Center, Soongsil University, Seoul 156-743, Korea, Department of Biotechnology, Yonsei University, Seoul 120-749, Korea, and Department of Chemistry, Hannam University, 461-6 Jeonmin-Dong, Yuseong-Gu, Daejeon 305-811, Korea"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Kwang-Hwi","family":"Cho","sequence":"additional","affiliation":[{"name":"Bioinformatics and Molecular Design Research Center, Seoul 120-749, Korea, Graduate Program in Functional Genomics, Yonsei University, Seoul 120-749, Korea, Department of Bioinformatics and CAMD Research Center, Soongsil University, Seoul 156-743, Korea, Department of Biotechnology, Yonsei University, Seoul 120-749, Korea, and Department of Chemistry, Hannam University, 461-6 Jeonmin-Dong, Yuseong-Gu, Daejeon 305-811, Korea"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Won Seok","family":"Oh","sequence":"additional","affiliation":[{"name":"Bioinformatics and Molecular Design Research Center, Seoul 120-749, Korea, Graduate Program in Functional Genomics, Yonsei University, Seoul 120-749, Korea, Department of Bioinformatics and CAMD Research Center, Soongsil University, Seoul 156-743, Korea, Department of Biotechnology, Yonsei University, Seoul 120-749, Korea, and Department of Chemistry, Hannam University, 461-6 Jeonmin-Dong, Yuseong-Gu, Daejeon 305-811, Korea"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Chang Joon","family":"Lee","sequence":"additional","affiliation":[{"name":"Bioinformatics and Molecular Design Research Center, Seoul 120-749, Korea, Graduate Program in Functional Genomics, Yonsei University, Seoul 120-749, Korea, Department of Bioinformatics and CAMD Research Center, Soongsil University, Seoul 156-743, Korea, Department of Biotechnology, Yonsei University, Seoul 120-749, Korea, and Department of Chemistry, Hannam University, 461-6 Jeonmin-Dong, Yuseong-Gu, Daejeon 305-811, Korea"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sung Kwang","family":"Lee","sequence":"additional","affiliation":[{"name":"Bioinformatics and Molecular Design Research Center, Seoul 120-749, Korea, Graduate Program in Functional Genomics, Yonsei University, Seoul 120-749, Korea, Department of Bioinformatics and CAMD Research Center, Soongsil University, Seoul 156-743, Korea, Department of Biotechnology, Yonsei University, Seoul 120-749, Korea, and Department of Chemistry, Hannam University, 461-6 Jeonmin-Dong, Yuseong-Gu, Daejeon 305-811, Korea"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jihoon","family":"Jung","sequence":"additional","affiliation":[{"name":"Bioinformatics and Molecular Design Research Center, Seoul 120-749, Korea, Graduate Program in Functional Genomics, Yonsei University, Seoul 120-749, Korea, Department of Bioinformatics and CAMD Research Center, Soongsil University, Seoul 156-743, Korea, Department of Biotechnology, Yonsei University, Seoul 120-749, Korea, and Department of Chemistry, Hannam University, 461-6 Jeonmin-Dong, Yuseong-Gu, Daejeon 305-811, Korea"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Kyoung Tai","family":"No","sequence":"additional","affiliation":[{"name":"Bioinformatics and Molecular Design Research Center, Seoul 120-749, Korea, Graduate Program in Functional Genomics, Yonsei University, Seoul 120-749, Korea, Department of Bioinformatics and CAMD Research Center, Soongsil University, Seoul 156-743, Korea, Department of Biotechnology, Yonsei University, Seoul 120-749, Korea, and Department of Chemistry, Hannam University, 461-6 Jeonmin-Dong, Yuseong-Gu, Daejeon 305-811, Korea"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2009,6,22]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"4444","DOI":"10.1021\/jm0705096","volume":"50","author":"Ahlstrom M. M.","year":"2007","journal-title":"J. Med. Chem."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"1688","DOI":"10.1021\/ci700010t","volume":"47","author":"Terfloth L.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"1320","DOI":"10.1021\/ci00022a014","volume":"34","author":"Klopman G.","year":"1994","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"1326","DOI":"10.1021\/ci00022a015","volume":"34","author":"Talafous J.","year":"1994","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref5\/cit5","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":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"1074","DOI":"10.1021\/ci800001m","volume":"48","author":"Jung J.","year":"2008","journal-title":"J. Chem. Inf. Model."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"7042","DOI":"10.1021\/ja00175a040","volume":"112","author":"Korzekwa K. R.","year":"1990","journal-title":"J. Am. Chem. Soc."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"328","DOI":"10.1124\/dmd.32.3.328","volume":"32","author":"Dowers T. S.","year":"2004","journal-title":"Drug Metab. Dispos."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"1998","DOI":"10.1021\/ci049834h","volume":"44","author":"Borodina Y.","year":"2004","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"583","DOI":"10.1021\/ci600376q","volume":"47","author":"Boyer S.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"2966","DOI":"10.1002\/ejic.200700117","volume":"2007","author":"Hazan C.","year":"2007","journal-title":"Eur. J. Inorg. Chem."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"6970","DOI":"10.1021\/jm050529c","volume":"48","author":"Cruciani G.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"591","DOI":"10.1021\/ci7003576","volume":"48","author":"Oh W. S.","year":"2008","journal-title":"J. Chem. Inf. Model."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"7","DOI":"10.1124\/dmd.30.1.7","volume":"30","author":"Jones J. P.","year":"2002","journal-title":"Drug Metab. Dispos."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"2725","DOI":"10.1021\/jm040180d","volume":"48","author":"de Graaf C.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"2313","DOI":"10.1021\/jm021104i","volume":"46","author":"Zamora I.","year":"2003","journal-title":"J. Med. Chem."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"1330","DOI":"10.1021\/jm020400s","volume":"46","author":"Singh S. B.","year":"2003","journal-title":"J. Med. Chem."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"2417","DOI":"10.1021\/jm0508538","volume":"49","author":"de Graaf C.","year":"2006","journal-title":"J. Med. Chem."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"6117","DOI":"10.1021\/jm050338+","volume":"48","author":"Keizers P. H. J.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ref20\/cit20","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":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"220","DOI":"10.1006\/abbi.2000.2147","volume":"385","author":"Higgins L.","year":"2001","journal-title":"Arch. Biochem. Biophys."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"780","DOI":"10.1021\/jm7009793","volume":"51","author":"Sykes M. J.","year":"2008","journal-title":"J. Med. Chem."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"5382","DOI":"10.1021\/jm070745g","volume":"50","author":"Ahlstrom M. M.","year":"2007","journal-title":"J. Med. Chem."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1021\/ci800371f","volume":"49","author":"Vasanthanathan P.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"11076","DOI":"10.1073\/pnas.92.24.11076","volume":"92","author":"Yin H.","year":"1995","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"720","DOI":"10.1021\/tx00029a020","volume":"5","author":"Harris J. W.","year":"1992","journal-title":"Chem. Res. Toxicol."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"6489","DOI":"10.1021\/jm060551l","volume":"49","author":"Olsen L.","year":"2006","journal-title":"J. Med. Chem."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"38091","DOI":"10.1074\/jbc.C400293200","volume":"279","author":"Yano J. K.","year":"2004","journal-title":"J. Biol. Chem."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"8316","DOI":"10.1002\/ange.200702867","volume":"119","author":"Li C.","year":"2007","journal-title":"Angew. Chem."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"1645","DOI":"10.1021\/jm020538a","volume":"46","author":"Park J.","year":"2003","journal-title":"J. Med. Chem."},{"key":"ref31\/cit31","unstructured":"Young, D. C.Computational Chemistry;John Wiley & Sons, Inc.: 2001; p153."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"3902","DOI":"10.1021\/ja00299a024","volume":"107","author":"Dewar M. J. S.","year":"1985","journal-title":"J. Am. Chem. Soc."},{"key":"ref33\/cit33","volume-title":"Gaussian 03, Revision C.02","author":"Frisch M. J.","year":"2004"},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1081\/DMR-120001392","volume":"34","author":"Rendic S.","year":"2002","journal-title":"Drug Metab. Rev."},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"683","DOI":"10.1126\/science.1099736","volume":"305","author":"Williams P. A.","year":"2004","journal-title":"Science"},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"153","DOI":"10.1070\/RC2000v069n02ABEH000560","volume":"69","author":"Denisov E. T.","year":"2000","journal-title":"Russ. Chem. Rev."},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"4732","DOI":"10.1021\/j100374a066","volume":"94","author":"No K. T.","year":"1990","journal-title":"J. Phys. Chem."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"4740","DOI":"10.1021\/j100374a067","volume":"94","author":"No K. T.","year":"1990","journal-title":"J. Phys. Chem."},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"2005","DOI":"10.1021\/ja00058a056","volume":"115","author":"No K. T.","year":"1993","journal-title":"J. Am. Chem. Soc."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"3219","DOI":"10.1016\/0040-4020(80)80168-2","volume":"36","author":"Gasteiger J.","year":"1980","journal-title":"Tetrahedron"},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"6856","DOI":"10.1002\/anie.200602711","volume":"45","author":"Claeyssens F.","year":"2006","journal-title":"Angew. Chem., Int. Ed."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"161","DOI":"10.1006\/abbi.1997.0302","volume":"346","author":"Yamazaki H.","year":"1997","journal-title":"Arch. Biochem. Biophys."},{"key":"ref43\/cit43","first-page":"1514","volume":"29","author":"Yu A.","year":"2001","journal-title":"Drug. Metab. Dispos."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"6024","DOI":"10.1021\/ja00279a059","volume":"108","author":"White R. E.","year":"1986","journal-title":"J. Am. Chem. Soc."},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"101","DOI":"10.1016\/S0022-3565(25)12236-2","volume":"276","author":"Tassaneeyakul W.","year":"1996","journal-title":"J. Pharmacol. Exp. Ther."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"3048","DOI":"10.1021\/bi00308a031","volume":"23","author":"Hanzlik R. P.","year":"1984","journal-title":"Biochemistry"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci900011g","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,2,10]],"date-time":"2025-02-10T08:06:22Z","timestamp":1739174782000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci900011g"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2009,6,22]]},"references-count":46,"journal-issue":{"issue":"7","published-print":{"date-parts":[[2009,7,27]]}},"alternative-id":["10.1021\/ci900011g"],"URL":"https:\/\/doi.org\/10.1021\/ci900011g","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2009,6,22]]}}}