{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,28]],"date-time":"2026-01-28T13:30:43Z","timestamp":1769607043020,"version":"3.49.0"},"reference-count":20,"publisher":"American Chemical Society (ACS)","issue":"3","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2012,3,26]]},"DOI":"10.1021\/ci300033e","type":"journal-article","created":{"date-parts":[[2012,3,6]],"date-time":"2012-03-06T20:29:56Z","timestamp":1331065796000},"page":"670-677","source":"Crossref","is-referenced-by-count":23,"title":["Exploration of 3D Activity Cliffs on the Basis of Compound Binding Modes and Comparison of 2D and 3D Cliffs"],"prefix":"10.1021","volume":"52","author":[{"given":"Ye","family":"Hu","sequence":"first","affiliation":[{"name":"Department of Life Science Informatics, B-IT, LIMES\rProgram Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universit\u00e4t, Dahlmannstrasse\r2, D-53113 Bonn, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"J\u00fcrgen","family":"Bajorath","sequence":"additional","affiliation":[{"name":"Department of Life Science Informatics, B-IT, LIMES\rProgram Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universit\u00e4t, Dahlmannstrasse\r2, D-53113 Bonn, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2012,3,14]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"698","DOI":"10.1016\/j.drudis.2009.04.003","volume":"14","author":"Bajorath J.","year":"2009","journal-title":"Drug Discovery Today"},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"8209","DOI":"10.1021\/jm100933w","volume":"53","author":"Wassermann A. M.","year":"2010","journal-title":"J. Med. Chem."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"1535","DOI":"10.1021\/ci060117s","volume":"46","author":"Maggiora G. M.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/jm201706b"},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"3131","DOI":"10.1021\/ci2004434","volume":"51","author":"Stumpfe D.","year":"2011","journal-title":"J. Chem. Inf. Model."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"1021","DOI":"10.1021\/ci100091e","volume":"50","author":"Peltason L.","year":"2010","journal-title":"J. Chem. Inf. Model."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"477","DOI":"10.1021\/ci800379q","volume":"49","author":"Medina-Franco J. L.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"1122","DOI":"10.1021\/ci200054u","volume":"51","author":"Agrafiotis D. K.","year":"2011","journal-title":"J. Chem. Inf. Model."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"1248","DOI":"10.1021\/ci1001845","volume":"50","author":"Wassermann A. M.","year":"2010","journal-title":"J. Chem. Inf. Model."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"1630","DOI":"10.1002\/cmdc.201100179","volume":"6","author":"Seebeck B.","year":"2011","journal-title":"ChemMedChem"},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"1848","DOI":"10.1021\/ci2002473","volume":"51","author":"Vogt M.","year":"2011","journal-title":"J. Chem. Inf. Model."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"224","DOI":"10.1111\/j.1747-0285.2011.01150.x","volume":"78","author":"Wassermann A. M.","year":"2011","journal-title":"Chem. Biol. Drug Des."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"2179","DOI":"10.1021\/ci900243a","volume":"49","author":"Sisay M. T.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"235","DOI":"10.1093\/nar\/28.1.235","volume":"28","author":"Berman H. M.","year":"2000","journal-title":"Nucleic Acids Res."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"489","DOI":"10.1016\/j.chembiol.2007.03.011","volume":"14","author":"Peltason L.","year":"2007","journal-title":"Chem. Biol."},{"key":"ref16\/cit16","volume-title":"MOE (Molecular Operating Environment)","year":"2007"},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"4183","DOI":"10.1021\/jm0582165","volume":"48","author":"Willett P.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ref18\/cit18","volume-title":"MACCS Structural Keys","year":"2005"},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"6075","DOI":"10.1021\/jm800867g","volume":"51","author":"Wawer M.","year":"2008","journal-title":"J. Med. Chem."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"2498","DOI":"10.1101\/gr.1239303","volume":"13","author":"Shannon P.","year":"2003","journal-title":"Genome Res."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci300033e","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,15]],"date-time":"2023-04-15T05:24:40Z","timestamp":1681536280000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci300033e"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2012,3,14]]},"references-count":20,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2012,3,26]]}},"alternative-id":["10.1021\/ci300033e"],"URL":"https:\/\/doi.org\/10.1021\/ci300033e","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2012,3,14]]}}}