{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,7]],"date-time":"2025-11-07T18:52:54Z","timestamp":1762541574141},"reference-count":37,"publisher":"American Chemical Society (ACS)","issue":"6","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2006,11,1]]},"DOI":"10.1021\/ci600197y","type":"journal-article","created":{"date-parts":[[2006,9,9]],"date-time":"2006-09-09T11:06:16Z","timestamp":1157799976000},"page":"2445-2456","source":"Crossref","is-referenced-by-count":98,"title":["\u201cBayes Affinity Fingerprints\u201d Improve Retrieval Rates in Virtual Screening and Define Orthogonal Bioactivity Space:\u2009 When Are Multitarget Drugs a Feasible Concept?"],"prefix":"10.1021","volume":"46","author":[{"given":"Andreas","family":"Bender","sequence":"first","affiliation":[{"name":"Lead Discovery Informatics, Lead Discovery Center, Novartis Institutes for BioMedical Research Inc., 250 Massachusetts Ave., Cambridge, Massachusetts 02139"}]},{"given":"Jeremy L.","family":"Jenkins","sequence":"additional","affiliation":[{"name":"Lead Discovery Informatics, Lead Discovery Center, Novartis Institutes for BioMedical Research Inc., 250 Massachusetts Ave., Cambridge, Massachusetts 02139"}]},{"given":"Meir","family":"Glick","sequence":"additional","affiliation":[{"name":"Lead Discovery Informatics, Lead Discovery Center, Novartis Institutes for BioMedical Research Inc., 250 Massachusetts Ave., Cambridge, Massachusetts 02139"}]},{"given":"Zhan","family":"Deng","sequence":"additional","affiliation":[{"name":"Lead Discovery Informatics, Lead Discovery Center, Novartis Institutes for BioMedical Research Inc., 250 Massachusetts Ave., Cambridge, Massachusetts 02139"}]},{"given":"James H.","family":"Nettles","sequence":"additional","affiliation":[{"name":"Lead Discovery Informatics, Lead Discovery Center, Novartis Institutes for BioMedical Research Inc., 250 Massachusetts Ave., Cambridge, Massachusetts 02139"}]},{"given":"John W.","family":"Davies","sequence":"additional","affiliation":[{"name":"Lead Discovery Informatics, Lead Discovery Center, Novartis Institutes for BioMedical Research Inc., 250 Massachusetts Ave., Cambridge, Massachusetts 02139"}]}],"member":"316","published-online":{"date-parts":[[2006,9,9]]},"reference":[{"key":"ci600197yb00001\/ci600197yb00001_1","doi-asserted-by":"crossref","first-page":"996","DOI":"10.1021\/ci9800211","volume":"38","author":"Willett P.","year":"1998","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci600197yb00002\/ci600197yb00002_1","volume-title":"Concepts and Applications of Molecular Similarity","author":"Johnson M. A.","year":"1990"},{"key":"ci600197yb00003\/ci600197yb00003_1","doi-asserted-by":"crossref","first-page":"3218","DOI":"10.1039\/b409813g","volume":"2","author":"Bender A.","year":"2004","journal-title":"Org. Biomol. Chem."},{"key":"ci600197yb00004\/ci600197yb00004_1","volume-title":"Molecular Similarity:\u2009 Advances in Methods, Applications and Validations in Virtual Screening and QSAR. Annu. Rep. Comput. Chem","author":"Bender A.","year":"2006"},{"key":"ci600197yb00005\/ci600197yb00005_1","doi-asserted-by":"crossref","DOI":"10.1002\/9783527613106","volume-title":"Handbook of Molecular Descriptors","author":"Todeschini R.","year":"2000"},{"key":"ci600197yb00006\/ci600197yb00006_1","volume-title":"Textual and Chemical Information Retrieval:\u2009 Different Applications but Similar Algorithms. Inf. Res","author":"Willett P.","year":"1999"},{"key":"ci600197yb00007\/ci600197yb00007_1","doi-asserted-by":"crossref","first-page":"1407","DOI":"10.1021\/jm021077w","volume":"46","author":"Stiefl N.","year":"2003","journal-title":"J. Med. Chem."},{"key":"ci600197yb00008\/ci600197yb00008_1","doi-asserted-by":"crossref","first-page":"6159","DOI":"10.1021\/jm049654z","volume":"47","author":"Jenkins J. L.","year":"2004","journal-title":"J. Med. Chem."},{"key":"ci600197yb00009\/ci600197yb00009_1","doi-asserted-by":"crossref","first-page":"519","DOI":"10.1002\/1521-3838(200211)21:5<507::AID-QSAR507>3.0.CO;2-L","volume":"21","author":"Baumann K.","year":"2002","journal-title":"Quant. Struct.-Act. Relat."},{"key":"ci600197yb00010\/ci600197yb00010_1","doi-asserted-by":"crossref","first-page":"6583","DOI":"10.1021\/jm049611i","volume":"47","author":"Bender A.","year":"2004","journal-title":"J. Med. Chem."},{"key":"ci600197yb00011\/ci600197yb00011_1","doi-asserted-by":"crossref","first-page":"1185","DOI":"10.1021\/ci034231b","volume":"44","author":"Hert J.","year":"2004","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci600197yb00012\/ci600197yb00012_1","doi-asserted-by":"crossref","first-page":"3266","DOI":"10.1039\/b409865j","volume":"2","author":"Hert J.","year":"2004","journal-title":"Org. Biomol. Chem."},{"key":"ci600197yb00013\/ci600197yb00013_1","first-page":"1718","volume":"44","author":"Bender A.","year":"2004","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci600197yb00014\/ci600197yb00014_1","doi-asserted-by":"crossref","first-page":"1375","DOI":"10.1021\/ci0500177","volume":"45","author":"Bender A.","year":"2005","journal-title":"J. Chem. Inf. Model."},{"key":"ci600197yb00015\/ci600197yb00015_1","doi-asserted-by":"crossref","first-page":"7054","DOI":"10.1021\/jm050316n","volume":"48","author":"Hert J.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ci600197yb00016\/ci600197yb00016_1","volume-title":"http:\/\/www.sunsetmolecular.com\/ (accessed","author":"Orld","year":"2006"},{"key":"ci600197yb00017\/ci600197yb00017_1","doi-asserted-by":"crossref","first-page":"118","DOI":"10.1016\/1074-5521(95)90283-X","volume":"2","author":"Kauvar L. M.","year":"1995","journal-title":"Chem. Biol."},{"key":"ci600197yb00018\/ci600197yb00018_1","doi-asserted-by":"crossref","first-page":"814","DOI":"10.1016\/S1359-6446(02)02371-1","volume":"7","author":"Beroza P.","year":"2002","journal-title":"Drug Discovery Today"},{"key":"ci600197yb00019\/ci600197yb00019_1","doi-asserted-by":"crossref","first-page":"244","DOI":"10.1023\/A:1008793325522","volume":"20","author":"Briem H.","year":"2000","journal-title":"Perspect. Drug Discovery Des."},{"key":"ci600197yb00020\/ci600197yb00020_1","doi-asserted-by":"crossref","first-page":"253","DOI":"10.1021\/ci990439e","volume":"40","author":"Lessel U. F.","year":"2000","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci600197yb00021\/ci600197yb00021_1","doi-asserted-by":"crossref","first-page":"916","DOI":"10.1023\/A:1023836420388","volume":"16","author":"Weber A.","year":"2002","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ci600197yb00022\/ci600197yb00022_1","doi-asserted-by":"crossref","first-page":"349","DOI":"10.1126\/science.275.5298.343","volume":"275","author":"Weinstein J. N.","year":"1997","journal-title":"Science"},{"key":"ci600197yb00023\/ci600197yb00023_1","first-page":"480","volume":"6","author":"Krejsa C. M.","year":"2003","journal-title":"Curr. Opin. Drug Discovery Dev."},{"key":"ci600197yb00024\/ci600197yb00024_1","doi-asserted-by":"crossref","first-page":"6925","DOI":"10.1021\/jm050494g","volume":"48","author":"Fliri A. F.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ci600197yb00025\/ci600197yb00025_1","doi-asserted-by":"crossref","first-page":"389","DOI":"10.1016\/S1367-5931(02)00329-0","volume":"6","author":"Oprea T. I","year":"2002","journal-title":"Curr. Opin. Chem. Biol."},{"key":"ci600197yb00026\/ci600197yb00026_1","first-page":"590","volume":"45","author":"Karthikeyan M.","year":"2005","journal-title":"J. Chem. Inf. Model."},{"issue":"3","key":"ci600197yb00027\/ci600197yb00027_1","doi-asserted-by":"crossref","first-page":"1083","DOI":"10.1021\/ci0500233","volume":"46","author":"Givehchi A.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ci600197yb00028\/ci600197yb00028_1","first-page":"740","volume":"44","author":"Sheridan R. P.","year":"2004","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci600197yb00029\/ci600197yb00029_1","volume-title":"http:\/\/www.scitegic.com\/ (accessed","author":"PipelinePilot","year":"2006"},{"issue":"3","key":"ci600197yb00030\/ci600197yb00030_1","doi-asserted-by":"crossref","first-page":"1133","DOI":"10.1021\/ci060003g","volume":"46","author":"Nidhi","year":"2006","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci600197yb00031\/ci600197yb00031_1","first-page":"204","volume":"9","author":"Glen R. C.","year":"2006","journal-title":"IDrugs"},{"key":"ci600197yb00032\/ci600197yb00032_1","volume-title":"http:\/\/www.statsoft.com (accessed","author":"Statistica","year":"2006"},{"key":"ci600197yb00033\/ci600197yb00033_1","first-page":"536","volume":"18","author":"Good A. C.","year":"2004","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ci600197yb00034\/ci600197yb00034_1","doi-asserted-by":"crossref","first-page":"2893","DOI":"10.1021\/jm9602928","volume":"39","author":"Bemis G. W.","year":"1996","journal-title":"J. Med. Chem."},{"key":"ci600197yb00035\/ci600197yb00035_1","first-page":"1548","volume":"49","author":"Zhang Q.","year":"2006","journal-title":"J. Med. Chem."},{"key":"ci600197yb00036\/ci600197yb00036_1","doi-asserted-by":"crossref","first-page":"651","DOI":"10.1016\/S1359-6446(04)03163-0","volume":"9","author":"Morphy R.","year":"2004","journal-title":"Drug Discovery Today"},{"key":"ci600197yb00037\/ci600197yb00037_1","doi-asserted-by":"crossref","first-page":"136","DOI":"10.1016\/j.sbi.2006.01.013","volume":"16","author":"Hopkins A. L.","year":"2006","journal-title":"Curr. Opin. Struct. Biol."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci600197y","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,3,15]],"date-time":"2023-03-15T05:41:24Z","timestamp":1678858884000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci600197y"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2006,9,9]]},"references-count":37,"journal-issue":{"issue":"6","published-print":{"date-parts":[[2006,11,1]]}},"alternative-id":["10.1021\/ci600197y"],"URL":"https:\/\/doi.org\/10.1021\/ci600197y","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2006,9,9]]}}}