{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,8]],"date-time":"2026-03-08T03:32:18Z","timestamp":1772940738220,"version":"3.50.1"},"reference-count":42,"publisher":"American Chemical Society (ACS)","issue":"7","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2014,7,28]]},"DOI":"10.1021\/ci500282c","type":"journal-article","created":{"date-parts":[[2014,7,3]],"date-time":"2014-07-03T18:26:19Z","timestamp":1404411979000},"page":"1908-1918","source":"Crossref","is-referenced-by-count":25,"title":["sc-PDB-Frag: A Database of Protein\u2013Ligand Interaction Patterns for Bioisosteric Replacements"],"prefix":"10.1021","volume":"54","author":[{"given":"J\u00e9r\u00e9my","family":"Desaphy","sequence":"first","affiliation":[{"name":"Laboratory for Therapeutical\rInnovation,\rUMR 7200 Universit\u00e9 de Strasbourg\/CNRS, MEDALIS Drug Discovery\rCenter, F-67400 Illkirch, France"}]},{"given":"Didier","family":"Rognan","sequence":"additional","affiliation":[{"name":"Laboratory for Therapeutical\rInnovation,\rUMR 7200 Universit\u00e9 de Strasbourg\/CNRS, MEDALIS Drug Discovery\rCenter, F-67400 Illkirch, France"}]}],"member":"316","published-online":{"date-parts":[[2014,7,17]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"2529","DOI":"10.1021\/jm1013693","volume":"54","author":"Meanwell N. A.","year":"2011","journal-title":"J. Med. Chem."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"2894","DOI":"10.1002\/(SICI)1521-3773(19991004)38:19<2894::AID-ANIE2894>3.0.CO;2-F","volume":"38","author":"Schneider G.","year":"1999","journal-title":"Angew. Chem., Int. Ed. Engl."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"310","DOI":"10.1016\/j.drudis.2011.10.024","volume":"17","author":"Sun H.","year":"2012","journal-title":"Drug Discovery Today"},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"6672","DOI":"10.1021\/jm0605233","volume":"49","author":"Leach A. G.","year":"2006","journal-title":"J. Med. Chem."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"92","DOI":"10.1002\/(SICI)1096-9063(199709)51:1<92::AID-PS608>3.0.CO;2-9","volume":"51","author":"IUjv\u00e1ry I.","year":"1997","journal-title":"Pest. Sci."},{"key":"ref6\/cit6","unstructured":"http:\/\/www.digitalchemistry.co.uk\/prod_bioster.html(accessed Nov. 2013) ."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"295","DOI":"10.1021\/ci990263g","volume":"40","author":"Schuffenhauer A.","year":"2000","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"677","DOI":"10.1021\/ci0503964","volume":"46","author":"Wagener M.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"1330","DOI":"10.1021\/ci900078h","volume":"49","author":"Birchall K.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"406","DOI":"10.1021\/ci025589v","volume":"43","author":"Holliday J. D.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"D1100","DOI":"10.1093\/nar\/gkr777","volume":"40","author":"Gaulton A.","year":"2011","journal-title":"Nucleic Acids Res."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"177","DOI":"10.1021\/ci049714+","volume":"45","author":"Irwin J. J.","year":"2005","journal-title":"J. Chem. Inf. Model."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"D668","DOI":"10.1093\/nar\/gkj067","volume":"34","author":"Wishart D. S.","year":"2006","journal-title":"Nucleic Acids Res."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"D1137","DOI":"10.1093\/nar\/gks1059","volume":"41","author":"Wirth M.","year":"2012","journal-title":"Nucleic Acids Res."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"5203","DOI":"10.1021\/jm400223y","volume":"56","author":"Weber J.","year":"2013","journal-title":"J. Med. Chem."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"385","DOI":"10.1007\/s10822-006-9072-0","volume":"20","author":"Kennewell E. A.","year":"2006","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"280","DOI":"10.1021\/ci8003094","volume":"49","author":"Moriaud F.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"2031","DOI":"10.1021\/ci3000776","volume":"52","author":"Wood D. J.","year":"2012","journal-title":"J. Chem. Inf. Model."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"187","DOI":"10.1038\/nchem.217","volume":"1","author":"Murray C. W.","year":"2009","journal-title":"Nat. Chem."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"5256","DOI":"10.1021\/jm100496j","volume":"53","author":"Barelier S.","year":"2010","journal-title":"J. Med. Chem."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"623","DOI":"10.1021\/ci300566n","volume":"53","author":"Desaphy J.","year":"2013","journal-title":"J. Chem. Inf. Model."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"1324","DOI":"10.1093\/bioinformatics\/btr120","volume":"27","author":"Meslamani J.","year":"2011","journal-title":"Bioinformatics"},{"key":"ref23\/cit23","unstructured":"Certara USA, Inc.,St. Louis, MO 63132, USA."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"435","DOI":"10.1002\/cmdc.200700139","volume":"3","author":"Brenk R.","year":"2008","journal-title":"ChemMedChem."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"1146","DOI":"10.1021\/ci960322f","volume":"36","author":"Hanser T.","year":"1996","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"511","DOI":"10.1021\/ci970429i","volume":"38","author":"Lewell X. Q.","year":"1998","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"D43","DOI":"10.1093\/nar\/gks1068","volume":"41","author":"UniProt Consortium","year":"2013","journal-title":"Nucleic Acids Res."},{"key":"ref28\/cit28","author":"Tanabe M.","year":"2012","journal-title":"Curr. Protoc. Bioinformatics"},{"key":"ref29\/cit29","volume-title":"Pipeline Pilot"},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"742","DOI":"10.1021\/ci100050t","volume":"50","author":"Rogers D.","year":"2010","journal-title":"J. Chem. Inf. Model."},{"key":"ref31\/cit31","unstructured":"http:\/\/www.apache.org\/(accessed Sep. 2013) ."},{"key":"ref32\/cit32","unstructured":"http:\/\/dev.mysql.com\/(accessed Sep. 2013) ."},{"key":"ref33\/cit33","unstructured":"http:\/\/vtemplate.sourceforge.net\/(accessed Sep. 2013) ."},{"key":"ref34\/cit34","unstructured":"http:\/\/jqueryui.com\/(accessed Sep. 2013) ."},{"key":"ref35\/cit35","unstructured":"http:\/\/jquery.com\/(accessed Sep. 2013) ."},{"key":"ref36\/cit36","unstructured":"ChemAxon Kft: 1031 Budapest, Hungary."},{"key":"ref37\/cit37","unstructured":"http:\/\/openastexviewer.net\/web\/(accessed Sep. 2013) ."},{"key":"ref38\/cit38","unstructured":"http:\/\/www.datatables.net\/(accessed Sep. 2013) ."},{"key":"ref39\/cit39","unstructured":"http:\/\/phpexcel.codeplex.com\/(accessed Sep. 2013) ."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"876","DOI":"10.1016\/S1359-6446(03)02831-9","volume":"8","author":"Congreve M.","year":"2003","journal-title":"Drug Discovery Today"},{"key":"ref41\/cit41","unstructured":"Brood, version 2.0.0;OpenEye Scientific Software:Santa Fe, U.S.A."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"5907","DOI":"10.1016\/j.bmcl.2006.08.053","volume":"16","author":"Huang S.","year":"2006","journal-title":"Bioorg. Med. Chem. Lett."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci500282c","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,17]],"date-time":"2023-04-17T20:19:44Z","timestamp":1681762784000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci500282c"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2014,7,17]]},"references-count":42,"journal-issue":{"issue":"7","published-print":{"date-parts":[[2014,7,28]]}},"alternative-id":["10.1021\/ci500282c"],"URL":"https:\/\/doi.org\/10.1021\/ci500282c","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2014,7,17]]}}}