{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,4]],"date-time":"2026-04-04T07:51:51Z","timestamp":1775289111477,"version":"3.50.1"},"reference-count":30,"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\/ci060109b","type":"journal-article","created":{"date-parts":[[2006,9,8]],"date-time":"2006-09-08T18:37:09Z","timestamp":1157740629000},"page":"2342-2354","source":"Crossref","is-referenced-by-count":71,"title":["The Impact of Tautomer Forms on Pharmacophore-Based Virtual Screening"],"prefix":"10.1021","volume":"46","author":[{"given":"Frank","family":"Oellien","sequence":"first","affiliation":[{"name":"Intervet Innovation GmbH, BioChemInformatics, Zur Propstei, D-55270 Schwabenheim, Germany, and Xemistry GmbH, Auf den Stieden 8, D-35094 Lahntal, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"J\u00f6rg","family":"Cramer","sequence":"additional","affiliation":[{"name":"Intervet Innovation GmbH, BioChemInformatics, Zur Propstei, D-55270 Schwabenheim, Germany, and Xemistry GmbH, Auf den Stieden 8, D-35094 Lahntal, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Carsten","family":"Beyer","sequence":"additional","affiliation":[{"name":"Intervet Innovation GmbH, BioChemInformatics, Zur Propstei, D-55270 Schwabenheim, Germany, and Xemistry GmbH, Auf den Stieden 8, D-35094 Lahntal, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Wolf-Dietrich","family":"Ihlenfeldt","sequence":"additional","affiliation":[{"name":"Intervet Innovation GmbH, BioChemInformatics, Zur Propstei, D-55270 Schwabenheim, Germany, and Xemistry GmbH, Auf den Stieden 8, D-35094 Lahntal, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Paul M.","family":"Selzer","sequence":"additional","affiliation":[{"name":"Intervet Innovation GmbH, BioChemInformatics, Zur Propstei, D-55270 Schwabenheim, Germany, and Xemistry GmbH, Auf den Stieden 8, D-35094 Lahntal, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2006,9,8]]},"reference":[{"key":"ci060109bb00001\/ci060109bb00001_1","volume-title":"http:\/\/www.mdl.com\/products\/experiment\/available_chem_dir\/index.jsp (accessed","author":"Available Chemicals Directory","year":"2004"},{"key":"ci060109bb00002\/ci060109bb00002_1","volume-title":"October 28\u221229","author":"Sayle R.","year":"1999"},{"key":"ci060109bb00004\/ci060109bb00004_1","volume-title":"Version","author":"CrossFire Structure","year":"1996"},{"key":"ci060109bb00005\/ci060109bb00005_1","doi-asserted-by":"crossref","first-page":"22","DOI":"10.1021\/ci60021a007","volume":"20","author":"Mockus J.","year":"1980","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci060109bb00006\/ci060109bb00006_1","volume-title":"http:\/\/www.mdl.com (accessed","author":"Information Systems","year":"2004"},{"key":"ci060109bb00007\/ci060109bb00007_1","doi-asserted-by":"crossref","first-page":"860","DOI":"10.1021\/ci025582d","volume":"43","author":"Trepalin S. V.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci060109bb00008\/ci060109bb00008_1","doi-asserted-by":"crossref","first-page":"12","DOI":"10.1074\/jbc.C000578200","volume":"276","author":"Brandstetter H.","year":"2001","journal-title":"Biol. Chem."},{"key":"ci060109bb00009\/ci060109bb00009_1","doi-asserted-by":"crossref","first-page":"50","DOI":"10.1002\/1522-2675(200210)85:10<3237::AID-HLCA3237>3.0.CO;2-3","volume":"85","author":"Pospisil P.","year":"2002","journal-title":"Helv. Chim. Acta"},{"key":"ci060109bb00010\/ci060109bb00010_1","volume-title":"J. Abstracts ACS National Meeting, 224th National Meeting of the American Chemical Society","author":"Sadowski","year":"2002"},{"key":"ci060109bb00011\/ci060109bb00011_1","first-page":"350","volume":"31","author":"Mazurek A.","year":"1986","journal-title":"Mol. Pharmacol."},{"key":"ci060109bb00012\/ci060109bb00012_1","doi-asserted-by":"crossref","first-page":"726","DOI":"10.1107\/S0108768193001016","volume":"49","author":"Duke N. E. C.","year":"1993","journal-title":"Acta Crystallogr., Sect B"},{"key":"ci060109bb00013\/ci060109bb00013_1","first-page":"162","volume":"153","author":"Hern\u00e1nandez B.","year":"1997","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ci060109bb00014\/ci060109bb00014_1","first-page":"2228","volume":"45","author":"Wu C. S.","year":"2002","journal-title":"J. Med. Chem."},{"key":"ci060109bb00015\/ci060109bb00015_1","first-page":"3691","volume":"45","author":"Yu Q.","year":"2002","journal-title":"J. Med. Chem."},{"key":"ci060109bb00016\/ci060109bb00016_1","first-page":"745","volume":"12","author":"Weinstein H.","year":"1976","journal-title":"Mol. Pharmacol."},{"issue":"4","key":"ci060109bb00017\/ci060109bb00017_1","doi-asserted-by":"crossref","first-page":"371","DOI":"10.1081\/RRS-120026975","volume":"23","author":"Pospisil P.","year":"2003","journal-title":"J. Recept. Signal Transduction"},{"key":"ci060109bb00018\/ci060109bb00018_1","volume-title":"http:\/\/www.eyesopen.com\/products\/applications\/quacpac.html (accessed","author":"Qu","year":"2004"},{"key":"ci060109bb00019\/ci060109bb00019_1","volume-title":"v. 3.0","author":"Pipeline Pilot","year":"2004"},{"key":"ci060109bb00020\/ci060109bb00020_1","volume-title":"http:\/\/www.schrodinger.com\/docs\/2004\u22121\/final_pdf\/ligprep\/lp15_user_manual.pdf (accessed","author":"LigPrep","year":"2004"},{"key":"ci060109bb00021\/ci060109bb00021_1","first-page":"116","volume":"34","author":"Ihlenfeldt W. D.","year":"1994","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci060109bb00022\/ci060109bb00022_1","unstructured":"Ihlenfeldt, W. D.; Takahashi, Y.; Abe, H.; Sasaki, S. J. CACTVS:\u2009 A Chemistry Algorithm Development Environment. InProceedings of the15th Symposium on Chemical Information and Computer Sciences\/20thSymposium on Structure\u2212Activity Relationships; Machida, K., Nishioka, T., Eds.; Kyoto University:\u2009 Kyoto, Japan, 1992; pp 102\u2212105."},{"key":"ci060109bb00023\/ci060109bb00023_1","volume-title":"release 4.9.1","author":"Catalyst","year":"2004"},{"key":"ci060109bb00024\/ci060109bb00024_1","doi-asserted-by":"crossref","first-page":"2581","DOI":"10.1021\/cr00023a012","volume":"93","author":"Sadowski J.","year":"1993","journal-title":"Chem. Rev."},{"key":"ci060109bb00025\/ci060109bb00025_1","volume-title":"release 4.9","author":"Cerius","year":"2004"},{"key":"ci060109bb00026\/ci060109bb00026_1","unstructured":"Beyer, C.; Cramer, J.; Selzer, P. M. Oral & Poster Presentation at the 18th Darmst\u00e4dter Molecular Modelling Workshop 2004, May 18\u221219, 2004, Erlangen, Germany."},{"key":"ci060109bb00027\/ci060109bb00027_1","volume-title":"Zweite Ausgabe, ANSI C","author":"Kernighan B. W.","year":"1990"},{"key":"ci060109bb00028\/ci060109bb00028_1","volume-title":"Tcl and the Tk Toolkit","author":"Ousterhout J. K.","year":"1994"},{"issue":"6","key":"ci060109bb00029\/ci060109bb00029_1","doi-asserted-by":"crossref","first-page":"1172","DOI":"10.1021\/ci9904259","volume":"39","author":"Leach A. R.","year":"1999","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci060109bb00030\/ci060109bb00030_1","volume-title":"The Tautomerism of Heterocycles","author":"Elguero J.","year":"1976"},{"key":"ci060109bb00031\/ci060109bb00031_1","volume-title":"http:\/\/www.xemistry.com\/academic\/tcl_reference.pdf (accessed","author":"Tcl Command Reference","year":"2004"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci060109b","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,3,15]],"date-time":"2023-03-15T05:58:21Z","timestamp":1678859901000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci060109b"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2006,9,8]]},"references-count":30,"journal-issue":{"issue":"6","published-print":{"date-parts":[[2006,11,1]]}},"alternative-id":["10.1021\/ci060109b"],"URL":"https:\/\/doi.org\/10.1021\/ci060109b","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2006,9,8]]}}}