{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,9,26]],"date-time":"2025-09-26T22:32:36Z","timestamp":1758925956905,"version":"3.37.3"},"reference-count":32,"publisher":"American Chemical Society (ACS)","issue":"6","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2017,6,26]]},"DOI":"10.1021\/acs.jcim.7b00165","type":"journal-article","created":{"date-parts":[[2017,5,18]],"date-time":"2017-05-18T19:18:43Z","timestamp":1495135123000},"page":"1258-1264","source":"Crossref","is-referenced-by-count":12,"title":["Alignment-Based Prediction of Sites of Metabolism"],"prefix":"10.1021","volume":"57","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-8890-2137","authenticated-orcid":true,"given":"Christina","family":"de Bruyn Kops","sequence":"first","affiliation":[{"name":"Faculty of Mathematics, Informatics and Natural Sciences, Department of Computer Science, Center for Bioinformatics, Universit\u00e4t Hamburg, Hamburg 20146, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8983-388X","authenticated-orcid":true,"given":"Nils-Ole","family":"Friedrich","sequence":"additional","affiliation":[{"name":"Faculty of Mathematics, Informatics and Natural Sciences, Department of Computer Science, Center for Bioinformatics, Universit\u00e4t Hamburg, Hamburg 20146, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2667-5877","authenticated-orcid":true,"given":"Johannes","family":"Kirchmair","sequence":"additional","affiliation":[{"name":"Faculty of Mathematics, Informatics and Natural Sciences, Department of Computer Science, Center for Bioinformatics, Universit\u00e4t Hamburg, Hamburg 20146, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2017,5,18]]},"reference":[{"doi-asserted-by":"publisher","key":"ref1\/cit1","DOI":"10.1517\/17425255.2014.876006"},{"key":"ref2\/cit2","first-page":"1","volume-title":"Drug Metabolism Prediction","author":"Testa B.","year":"2014"},{"doi-asserted-by":"publisher","key":"ref3\/cit3","DOI":"10.1016\/j.drudis.2012.01.017"},{"doi-asserted-by":"publisher","key":"ref4\/cit4","DOI":"10.1038\/nrd4581"},{"doi-asserted-by":"publisher","key":"ref5\/cit5","DOI":"10.1016\/j.addr.2015.04.020"},{"doi-asserted-by":"publisher","key":"ref6\/cit6","DOI":"10.1038\/nrd1851"},{"doi-asserted-by":"publisher","key":"ref7\/cit7","DOI":"10.1021\/mp3005116"},{"doi-asserted-by":"publisher","key":"ref8\/cit8","DOI":"10.1021\/ci200542m"},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"243","DOI":"10.1002\/9783527673261.ch10","volume-title":"Drug Metabolism Prediction","author":"Oostenbrink C.","year":"2014"},{"doi-asserted-by":"publisher","key":"ref10\/cit10","DOI":"10.1021\/ci3003073"},{"doi-asserted-by":"publisher","key":"ref11\/cit11","DOI":"10.1021\/jm7009793"},{"doi-asserted-by":"publisher","key":"ref12\/cit12","DOI":"10.1021\/ci600426e"},{"doi-asserted-by":"publisher","key":"ref13\/cit13","DOI":"10.1186\/s13321-016-0167-x"},{"doi-asserted-by":"publisher","key":"ref14\/cit14","DOI":"10.1021\/ci400518g"},{"doi-asserted-by":"publisher","key":"ref15\/cit15","DOI":"10.1021\/ml100016x"},{"doi-asserted-by":"publisher","key":"ref16\/cit16","DOI":"10.1039\/C5MB00784D"},{"doi-asserted-by":"publisher","key":"ref17\/cit17","DOI":"10.1021\/jm2006468"},{"doi-asserted-by":"publisher","key":"ref18\/cit18","DOI":"10.1517\/17425255.2015.1020295"},{"doi-asserted-by":"publisher","key":"ref19\/cit19","DOI":"10.1093\/nar\/gkv951"},{"key":"ref20\/cit20","first-page":"2825","volume":"12","author":"Pedregosa F.","year":"2011","journal-title":"J. Mach. Learn. Res."},{"unstructured":"Scikit-learn, version 0.18, 2016.","key":"ref21\/cit21"},{"unstructured":"RDKit: Open-Source Cheminformatics, version 2016.03.1, 2016.","key":"ref22\/cit22"},{"doi-asserted-by":"publisher","key":"ref23\/cit23","DOI":"10.1021\/ci100031x"},{"volume-title":"OMEGA","year":"2011","key":"ref24\/cit24"},{"doi-asserted-by":"publisher","key":"ref25\/cit25","DOI":"10.1021\/jm0603365"},{"volume-title":"ROCS","year":"2015","key":"ref26\/cit26"},{"unstructured":"Rydberg, P.; Gloriam, D. E.; Olsen, L.SMARTCyp, version 2.4.2, 2013.","key":"ref27\/cit27"},{"doi-asserted-by":"publisher","key":"ref28\/cit28","DOI":"10.1093\/bioinformatics\/bti623"},{"unstructured":"Sing, T.; Sander, O.; Beerenwinkel, N.; Lengauer, T.ROCR, version 1.0-7, 2015.","key":"ref29\/cit29"},{"doi-asserted-by":"publisher","key":"ref30\/cit30","DOI":"10.1186\/1471-2105-12-77"},{"doi-asserted-by":"crossref","unstructured":"Robin, X.; Turck, N.; Hainard, A.; Tiberti, N.; Lisacek, F.; Sanchez, J.C.; M\u00fcller, M.pROC, version 1.7.2, 2014.","key":"ref31\/cit31","DOI":"10.1016\/j.trprot.2013.04.003"},{"unstructured":"Yabuuchi, H.enrichvs, version 0.0.5, 2011.","key":"ref32\/cit32"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.7b00165","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,6,24]],"date-time":"2024-06-24T06:16:14Z","timestamp":1719209774000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.7b00165"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2017,5,18]]},"references-count":32,"journal-issue":{"issue":"6","published-print":{"date-parts":[[2017,6,26]]}},"alternative-id":["10.1021\/acs.jcim.7b00165"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.7b00165","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"type":"print","value":"1549-9596"},{"type":"electronic","value":"1549-960X"}],"subject":[],"published":{"date-parts":[[2017,5,18]]}}}