{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2024,5,18]],"date-time":"2024-05-18T02:57:26Z","timestamp":1716001046814},"reference-count":26,"publisher":"Springer Science and Business Media LLC","issue":"3","license":[{"start":{"date-parts":[[2006,3,1]],"date-time":"2006-03-01T00:00:00Z","timestamp":1141171200000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Comput Aided Mol Des"],"published-print":{"date-parts":[[2006,3]]},"DOI":"10.1007\/s10822-006-9044-4","type":"journal-article","created":{"date-parts":[[2006,7,13]],"date-time":"2006-07-13T03:43:19Z","timestamp":1152762199000},"page":"179-190","source":"Crossref","is-referenced-by-count":10,"title":["Permuting input for more effective sampling of 3D conformer space"],"prefix":"10.1007","volume":"20","author":[{"given":"Giorgio","family":"Carta","sequence":"first","affiliation":[]},{"given":"Valeria","family":"Onnis","sequence":"additional","affiliation":[]},{"given":"Andrew J. S.","family":"Knox","sequence":"additional","affiliation":[]},{"given":"Darren","family":"Fayne","sequence":"additional","affiliation":[]},{"given":"David G.","family":"Lloyd","sequence":"additional","affiliation":[]}],"member":"297","published-online":{"date-parts":[[2006,7,14]]},"reference":[{"issue":"9","key":"9044_CR1","doi-asserted-by":"crossref","first-page":"1011","DOI":"10.2174\/1381612043452721","volume":"10","author":"T Hou","year":"2004","unstructured":"Hou T, Xu X (2004) Curr Pharm Des 10(9):1011","journal-title":"Curr Pharm Des"},{"issue":"7","key":"9044_CR2","doi-asserted-by":"crossref","first-page":"632","DOI":"10.1016\/j.ejmech.2005.02.006","volume":"40","author":"C Liao","year":"2005","unstructured":"Liao C, Liu B, Shi L, Zhou J, Lu XP (2005) Eur J Med Chem 40(7):632","journal-title":"Eur J Med Chem"},{"key":"9044_CR3","unstructured":"Bringmann BKA (2004) Frequent SMILES. Lernen, Wissensentdeckung und Adaptivit\u00e4t, Workshop GI Fachgruppe Maschinelles Lernen, part of LWA 2004"},{"key":"9044_CR4","doi-asserted-by":"crossref","first-page":"31","DOI":"10.1021\/ci00057a005","volume":"28","author":"D Weininger","year":"1988","unstructured":"Weininger D (1988) J Chem Inf Comput 28:31","journal-title":"J Chem Inf Comput"},{"key":"9044_CR5","doi-asserted-by":"crossref","unstructured":"Knox AJS, Meegan MJ, Carta G, Lloyd DG (2005) J Chem Inf Model 45(6):1908\u201319","DOI":"10.1021\/ci050185z"},{"issue":"1","key":"9044_CR6","doi-asserted-by":"crossref","first-page":"80","DOI":"10.1021\/jm030161o","volume":"47","author":"GP Vigers","year":"2004","unstructured":"Vigers GP, Rizzi JP (2004) J Med Chem 47(1):80\u201389","journal-title":"J Med Chem"},{"issue":"25","key":"9044_CR7","doi-asserted-by":"crossref","first-page":"22748","DOI":"10.1074\/jbc.M212711200","volume":"278","author":"B Kauppi","year":"2003","unstructured":"Kauppi B, Jakob C, Farnegardh M, Yang J, Ahola H, Alarcon M, Calles K, Engstrom O, Harlan J, Muchmore S, Ramqvist AK, Thorell S, Ohman L, Greer J, Gustafsson JA, Carlstedt-Duke J, Carlquist M (2003) J Biol Chem 278(25):22748","journal-title":"J Biol Chem"},{"issue":"8","key":"9044_CR8","doi-asserted-by":"crossref","first-page":"699","DOI":"10.1016\/S0969-2126(01)00634-7","volume":"9","author":"P Cronet","year":"2001","unstructured":"Cronet P, Petersen JF, Folmer R, Blomberg N, Sjoblom K, Karlsson U, Lindstedt EL, Bamberg K (2001) Structure (Camb) 9(8):699","journal-title":"Structure (Camb)"},{"key":"9044_CR9","unstructured":"Daylight Chemical Informations Systems Inc. (URL: http:\/\/www.daylight.com)"},{"key":"9044_CR10","unstructured":"Molecular Operating Environment (MOE), developed and distributed by Chemical Computing Group (http:\/\/wwwchemcompcom)"},{"key":"9044_CR11","unstructured":"Babel v2.0A3, distributed by Openeye Scientific Software"},{"key":"9044_CR12","unstructured":"Chemsketch v8.17, www.acdlabs.com"},{"issue":"3","key":"9044_CR13","doi-asserted-by":"crossref","first-page":"470","DOI":"10.1006\/jmbi.1996.0477","volume":"261","author":"M Rarey","year":"1996","unstructured":"Rarey M, Kramer B, Lengauer T, Klebe G (1996) J Mol Biol 261(3):470","journal-title":"J Mol Biol"},{"issue":"3","key":"9044_CR14","doi-asserted-by":"crossref","first-page":"727","DOI":"10.1006\/jmbi.1996.0897","volume":"267","author":"G Jones","year":"1997","unstructured":"Jones G, Willett P, Glen RC, Leach AR, Taylor R (1997) J Mol Biol 267(3):727","journal-title":"J Mol Biol"},{"key":"9044_CR15","unstructured":"CORINA 3.6, distributed by Molecular Networks GmbH"},{"key":"9044_CR16","unstructured":"Cambridge Structural Database, http:\/\/www.ccdc.cam.ac.uk\/"},{"key":"9044_CR17","unstructured":"OMEGA 1.8.1, distributed by Openeye Scientific Software"},{"key":"9044_CR18","unstructured":"Catalyst v4.9.1, www.accelrys.com"},{"key":"9044_CR19","unstructured":"RUBICON, distributed by Daylight Chemical Informations Systems Inc"},{"key":"9044_CR20","doi-asserted-by":"crossref","unstructured":"Shanno DF, Phua KH (1980) ACM Trans Math Software 6:618","DOI":"10.1145\/355921.355933"},{"issue":"5","key":"9044_CR21","doi-asserted-by":"crossref","first-page":"449","DOI":"10.1016\/S1093-3263(02)00204-8","volume":"21","author":"J Bostrom","year":"2003","unstructured":"Bostrom J, Greenwood JR, Gottfries J (2003) J Mol Graph Model 21(5):449","journal-title":"J Mol Graph Model"},{"issue":"12","key":"9044_CR22","doi-asserted-by":"crossref","first-page":"1137","DOI":"10.1023\/A:1015930826903","volume":"15","author":"J Bostrom","year":"2001","unstructured":"Bostrom J (2001) J Comput Aided Mol Des 15(12):1137","journal-title":"J Comput Aided Mol Des"},{"key":"9044_CR23","unstructured":"Ivanciuc O (2003) In: Gasteiger J (ed) Handbook of chemoinformatic , vol. 1. p 103"},{"issue":"4","key":"9044_CR24","doi-asserted-by":"crossref","first-page":"200","DOI":"10.1021\/c160055a012","volume":"14","author":"Y Kudo","year":"1974","unstructured":"Kudo Y, Sasaki S (1974) J Chem Document 14(4):200","journal-title":"J Chem Document"},{"key":"9044_CR25","unstructured":"Babel 1.100.2, Distributed by Openeye Scientific Software"},{"key":"9044_CR26","unstructured":"oechem, RMSD, Distributed by Openeye Scientific Software"}],"container-title":["Journal of Computer-Aided Molecular Design"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s10822-006-9044-4.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/article\/10.1007\/s10822-006-9044-4\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s10822-006-9044-4","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,5,30]],"date-time":"2019-05-30T21:22:53Z","timestamp":1559251373000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/s10822-006-9044-4"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2006,3]]},"references-count":26,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2006,3]]}},"alternative-id":["9044"],"URL":"https:\/\/doi.org\/10.1007\/s10822-006-9044-4","relation":{},"ISSN":["0920-654X","1573-4951"],"issn-type":[{"value":"0920-654X","type":"print"},{"value":"1573-4951","type":"electronic"}],"subject":[],"published":{"date-parts":[[2006,3]]}}}