{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,31]],"date-time":"2026-03-31T10:31:20Z","timestamp":1774953080582,"version":"3.50.1"},"reference-count":32,"publisher":"American Chemical Society (ACS)","issue":"11","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2013,11,25]]},"DOI":"10.1021\/ci400503s","type":"journal-article","created":{"date-parts":[[2013,11,12]],"date-time":"2013-11-12T12:02:02Z","timestamp":1384257722000},"page":"2896-2907","source":"Crossref","is-referenced-by-count":49,"title":["FAst MEtabolizer (FAME): A Rapid and Accurate Predictor of Sites of Metabolism in Multiple Species by Endogenous Enzymes"],"prefix":"10.1021","volume":"53","author":[{"given":"Johannes","family":"Kirchmair","sequence":"first","affiliation":[{"name":"Unilever\rCentre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, CB2\r1EW, Cambridge, United Kingdom"}]},{"given":"Mark J.","family":"Williamson","sequence":"additional","affiliation":[{"name":"Unilever\rCentre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, CB2\r1EW, Cambridge, United Kingdom"}]},{"given":"Avid M.","family":"Afzal","sequence":"additional","affiliation":[{"name":"Unilever\rCentre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, CB2\r1EW, Cambridge, United Kingdom"}]},{"given":"Jonathan D.","family":"Tyzack","sequence":"additional","affiliation":[{"name":"Unilever\rCentre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, CB2\r1EW, Cambridge, United Kingdom"}]},{"given":"Alison P. K.","family":"Choy","sequence":"additional","affiliation":[{"name":"Unilever\rCentre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, CB2\r1EW, Cambridge, United Kingdom"}]},{"given":"Andrew","family":"Howlett","sequence":"additional","affiliation":[{"name":"Unilever\rCentre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, CB2\r1EW, Cambridge, United Kingdom"}]},{"given":"Patrik","family":"Rydberg","sequence":"additional","affiliation":[{"name":"Department\rof Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen, DK-2100 Copenhagen, Denmark"}]},{"given":"Robert C.","family":"Glen","sequence":"additional","affiliation":[{"name":"Unilever\rCentre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, CB2\r1EW, Cambridge, United Kingdom"}]}],"member":"316","published-online":{"date-parts":[[2013,11,12]]},"reference":[{"key":"ref1\/cit1","first-page":"393","volume":"45","author":"Leeson P. D.","year":"2010","journal-title":"Annu. Rep. Med. Chem."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"965","DOI":"10.2174\/156802609789630929","volume":"9","author":"Caldwell G. W.","year":"2009","journal-title":"Curr. Top. Med. Chem."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"617","DOI":"10.1021\/ci200542m","volume":"52","author":"Kirchmair J.","year":"2012","journal-title":"J. Chem. Inf. Model."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"1282","DOI":"10.1021\/ci400050v","volume":"53","author":"Piechota P.","year":"2013","journal-title":"J. Chem. Inf. Model."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"2471","DOI":"10.1021\/ci3003073","volume":"52","author":"Campagna-Slater V.","year":"2012","journal-title":"J. Chem. Inf. Model."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"3829","DOI":"10.1021\/ct200462q","volume":"7","author":"Li J.","year":"2011","journal-title":"J. Chem. Theory. Comput."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"5","DOI":"10.1023\/A:1010933404324","volume":"45","author":"Breiman L.","year":"2001","journal-title":"Mach. Learn."},{"key":"ref8\/cit8","volume-title":"Accelrys Metabolite Database","year":"2011"},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"493","DOI":"10.1021\/ci025584y","volume":"43","author":"Steinbeck C.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"2111","DOI":"10.2174\/138161206777585274","volume":"12","author":"Steinbeck C.","year":"2006","journal-title":"Curr. Pharm. Des."},{"key":"ref11\/cit11","unstructured":"http:\/\/www-metaprint2d.ch.cam.ac.uk(accessed Dec 11, 2012) ."},{"key":"ref12\/cit12","unstructured":"Adams, S. E.Molecular similarity and xenobiotic metabolism. Ph.D. Thesis.University of Cambridge,UK. 2010; http:\/\/www.dspace.cam.ac.uk\/handle\/1810\/225225(accessed Oct 03, 2013) ."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"591","DOI":"10.1002\/spe.588","volume":"34","author":"Krissinel E. B.","year":"2004","journal-title":"Software Pract. Exper."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"354","DOI":"10.1021\/ci300487z","volume":"53","author":"Kirchmair J.","year":"2013","journal-title":"J. Chem. Inf. Model."},{"key":"ref15\/cit15","volume-title":"Molecular Operating Environment (MOE)","year":"2011"},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"1202","DOI":"10.1002\/cmdc.201200160","volume":"7","author":"Rydberg P.","year":"2012","journal-title":"ChemMedChem"},{"key":"ref17\/cit17","unstructured":"http:\/\/www.tripos.com\/mol2\/atom_types.html(accessed Aug 20, 2013) ."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"81","DOI":"10.1002\/minf.201200092","volume":"32","author":"Long A.","year":"2013","journal-title":"Mol. Inf."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"10","DOI":"10.1145\/1656274.1656278","volume":"11","author":"Hall M.","year":"2009","journal-title":"SIGKDD Explor. Newsl."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"96","DOI":"10.1021\/ml100016x","volume":"1","author":"Rydberg P.","year":"2010","journal-title":"ACS Med. Chem. Lett."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"1637","DOI":"10.1021\/ci300009z","volume":"52","author":"Zaretzki J.","year":"2012","journal-title":"J. Chem. Inf. Model."},{"key":"ref22\/cit22","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":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"319","DOI":"10.1021\/ci2003126","volume":"52","author":"Tiikkainen P.","year":"2012","journal-title":"J. Chem. Inf. Model."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"3173","DOI":"10.1021\/jm0613471","volume":"50","author":"Sheridan R. P.","year":"2007","journal-title":"J. Med. Chem."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"1947","DOI":"10.1021\/ci034160g","volume":"43","author":"Svetnik V.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"1667","DOI":"10.1021\/ci2000488","volume":"51","author":"Zaretzki J.","year":"2011","journal-title":"J. Chem. Inf. Model."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"1294","DOI":"10.1021\/ci400058s","volume":"53","author":"Tyzack J. D.","year":"2013","journal-title":"J. Chem. Inf. Model."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"321","DOI":"10.1613\/jair.953","volume":"16","author":"Chawla N. V.","year":"2002","journal-title":"J. Artif. Intell. Res."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"2988","DOI":"10.1093\/bioinformatics\/btq584","volume":"26","author":"Rydberg P.","year":"2010","journal-title":"Bioinformatics"},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1186\/1758-2946-3-33","volume":"3","author":"O\u2019Boyle N. M.","year":"2011","journal-title":"J. Cheminform."},{"key":"ref31\/cit31","unstructured":"Jmol, version 13.0; 2011; http:\/\/www.jmol.org\/."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"1643","DOI":"10.1021\/ci900011g","volume":"49","author":"Kim D. N.","year":"2009","journal-title":"J. Chem. Inf. Model."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci400503s","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,22]],"date-time":"2023-04-22T08:03:45Z","timestamp":1682150625000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci400503s"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2013,11,12]]},"references-count":32,"journal-issue":{"issue":"11","published-print":{"date-parts":[[2013,11,25]]}},"alternative-id":["10.1021\/ci400503s"],"URL":"https:\/\/doi.org\/10.1021\/ci400503s","relation":{"has-review":[{"id-type":"doi","id":"10.3410\/f.718175178.793491743","asserted-by":"object"}]},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2013,11,12]]}}}