{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2024,3,20]],"date-time":"2024-03-20T08:29:04Z","timestamp":1710923344652},"reference-count":40,"publisher":"American Chemical Society (ACS)","issue":"9","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2011,9,26]]},"DOI":"10.1021\/ci200014g","type":"journal-article","created":{"date-parts":[[2011,8,18]],"date-time":"2011-08-18T11:49:31Z","timestamp":1313668171000},"page":"2156-2163","source":"Crossref","is-referenced-by-count":5,"title":["Improving Similarity-Driven Library Design: Customized Matching and Regioselective Feature Trees"],"prefix":"10.1021","volume":"51","author":[{"given":"J. Robert","family":"Fischer","sequence":"first","affiliation":[{"name":"Center for Bioinformatics (ZBH), University of Hamburg, Hamburg, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Uta","family":"Lessel","sequence":"additional","affiliation":[{"name":"Department of Lead Identification and Optimization Support, Boehringer Ingelheim Pharma GmbH & Co. KG, Biberach an der Riss, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Matthias","family":"Rarey","sequence":"additional","affiliation":[{"name":"Center for Bioinformatics (ZBH), University of Hamburg, Hamburg, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2011,8,18]]},"reference":[{"key":"ref1\/cit1","first-page":"260","volume":"31","author":"Gillet V.","year":"1991","journal-title":"J. Chem. Inf. Model."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"338","DOI":"10.1021\/ci025592e","volume":"43","author":"Gillet V.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"346","DOI":"10.1021\/ci0255937","volume":"43","author":"Barker E.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref4\/cit4","first-page":"639","volume":"32","author":"Takahashi Y.","year":"1992","journal-title":"J. Chem. Inf. Model."},{"key":"ref5\/cit5","first-page":"130","volume":"34","author":"Fisanick W.","year":"1994","journal-title":"J. Chem. Inf. Model."},{"key":"ref6\/cit6","first-page":"2145","volume":"44","author":"Harper G.","year":"2004","journal-title":"J. Chem. Inf. Model."},{"key":"ref7\/cit7","first-page":"572","volume":"36","author":"Brown R.","year":"1996","journal-title":"J. Chem. Inf. Model."},{"key":"ref8\/cit8","first-page":"1","volume":"37","author":"Brown R.","year":"1997","journal-title":"J. Chem. Inf. Model."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"1219","DOI":"10.1021\/jm960352+","volume":"40","author":"Matter H.","year":"1997","journal-title":"J. Med. Chem."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"2468","DOI":"10.1021\/jm0707727","volume":"51","author":"Boehm M.","year":"2008","journal-title":"J. Med. Chem."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"217","DOI":"10.1016\/j.ddtec.2004.10.009","volume":"1","author":"Boehm H.","year":"2004","journal-title":"Drug Discovery Today: Technol"},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"577","DOI":"10.1021\/ci050465e","volume":"46","author":"Birchall K.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"471","DOI":"10.1023\/A:1008068904628","volume":"12","author":"Rarey M.","year":"1998","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"81","DOI":"10.1002\/3527609164.ch4","volume-title":"Pharmacophores and Pharmacophore Search","volume":"32","author":"Rarey M.","year":"2005"},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"1341","DOI":"10.1021\/ci700007b","volume":"47","author":"Fischer J. R.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"983","DOI":"10.1021\/ci9800211","volume":"38","author":"Willett P.","year":"1998","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"497","DOI":"10.1023\/A:1011144622059","volume":"15","author":"Rarey M.","year":"2001","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"511","DOI":"10.1021\/ci970429i","volume":"38","author":"Lewell X.","year":"1998","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"318","DOI":"10.1021\/ci6003652","volume":"47","author":"Mauser H.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"1503","DOI":"10.1002\/cmdc.200800178","volume":"3","author":"Degen J.","year":"2008","journal-title":"ChemMedChem"},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1021\/ci900287p","volume":"50","author":"Fischer J.","year":"2010","journal-title":"J. Chem. Inf. Model."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"270","DOI":"10.1021\/ci800272a","volume":"49","author":"Lessel U.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"937","DOI":"10.1016\/S0960-894X(02)00055-0","volume":"12","author":"Aslanian R.","year":"2002","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"1065","DOI":"10.1021\/ci049958u","volume":"44","author":"Fricker P.","year":"2004","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"716","DOI":"10.1073\/pnas.38.8.716","volume":"38","author":"Bellman R.","year":"1952","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"832","DOI":"10.1038\/302832a0","volume":"302","author":"Arrang J.-M.","year":"1983","journal-title":"Nature"},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"1613","DOI":"10.1016\/S1359-6446(05)03625-1","volume":"10","author":"Celanire S.","year":"2005","journal-title":"Drug Discovery Today"},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"165","DOI":"10.1124\/jpet.104.078303","volume":"313","author":"Esbenshade T.","year":"2005","journal-title":"J. Pharmacol. Exp. Ther."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"5303","DOI":"10.1016\/j.bmcl.2006.07.093","volume":"16","author":"Lau J.","year":"2006","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"2263","DOI":"10.1016\/S0960-894X(98)00399-0","volume":"8","author":"Aslanian R.","year":"1998","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"471","DOI":"10.1002\/bies.950170603","volume":"17","author":"Nigg E.","year":"1995","journal-title":"Bioessays"},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"347","DOI":"10.1054\/drup.2001.0224","volume":"4","author":"Wadler S.","year":"2001","journal-title":"Drug Resist. Update"},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"533","DOI":"10.1126\/science.281.5376.533","volume":"281","author":"Gray N.","year":"1998","journal-title":"Science"},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"389","DOI":"10.1016\/S0969-2126(01)00598-6","volume":"9","author":"Davies T.","year":"2001","journal-title":"Structure"},{"key":"ref35\/cit35","unstructured":"ROCS, version 3.1.0;OpenEye Scientific Software:Santa Fe, NM, 2010."},{"key":"ref36\/cit36","unstructured":"MOE, version 2010.10;Chemical Computing Group:Quebec, Canada, 2010."},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"6058","DOI":"10.1016\/j.bmcl.2006.08.108","volume":"16","author":"Swain C.","year":"2006","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"2693","DOI":"10.1016\/S0960-894X(00)00558-8","volume":"10","author":"Smith A.","year":"2000","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"4502","DOI":"10.1021\/jm981037l","volume":"41","author":"Lemmen C.","year":"1998","journal-title":"J. Med. Chem."},{"key":"ref40\/cit40","unstructured":"FlexS, version 2.0.0;BioSolveIT:St. Augustin, Germany, 2010."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci200014g","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,15]],"date-time":"2023-04-15T09:45:40Z","timestamp":1681551940000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci200014g"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2011,8,18]]},"references-count":40,"journal-issue":{"issue":"9","published-print":{"date-parts":[[2011,9,26]]}},"alternative-id":["10.1021\/ci200014g"],"URL":"https:\/\/doi.org\/10.1021\/ci200014g","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2011,8,18]]}}}