{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,13]],"date-time":"2026-04-13T05:56:29Z","timestamp":1776059789043,"version":"3.50.1"},"reference-count":53,"publisher":"American Chemical Society (ACS)","issue":"1","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2008,1,1]]},"DOI":"10.1021\/ci700307p","type":"journal-article","created":{"date-parts":[[2008,1,11]],"date-time":"2008-01-11T10:00:34Z","timestamp":1200045634000},"page":"220-232","source":"Crossref","is-referenced-by-count":187,"title":["Why Are Some Properties More Difficult To Predict than Others? A Study of QSPR Models of Solubility, Melting Point, and Log P"],"prefix":"10.1021","volume":"48","author":[{"given":"Laura D.","family":"Hughes","sequence":"first","affiliation":[{"name":"Unilever Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom"}]},{"given":"David S.","family":"Palmer","sequence":"additional","affiliation":[{"name":"Unilever Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom"}]},{"given":"Florian","family":"Nigsch","sequence":"additional","affiliation":[{"name":"Unilever Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom"}]},{"given":"John B. O.","family":"Mitchell","sequence":"additional","affiliation":[{"name":"Unilever Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom"}]}],"member":"316","published-online":{"date-parts":[[2008,1,11]]},"reference":[{"key":"ci700307pb00001\/ci700307pb00001_1","doi-asserted-by":"crossref","first-page":"1185","DOI":"10.1021\/ci020280x","volume":"43","author":"Bergstrom C. A.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci700307pb00002\/ci700307pb00002_1","first-page":"590","volume":"45","author":"Karthikeyan M.","year":"2005","journal-title":"J. Chem. Inf. Model."},{"key":"ci700307pb00003\/ci700307pb00003_1","doi-asserted-by":"crossref","first-page":"38","DOI":"10.1021\/ci049744c","volume":"45","author":"Clark M","year":"2005","journal-title":"J. Chem. Inf. Model."},{"key":"ci700307pb00004\/ci700307pb00004_1","doi-asserted-by":"crossref","first-page":"366","DOI":"10.1016\/S0169-409X(02)00008-X","volume":"54","author":"Jorgensen W. L.","year":"2002","journal-title":"Adv. Drug Delivery Rev."},{"key":"ci700307pb00005\/ci700307pb00005_1","doi-asserted-by":"crossref","first-page":"52","DOI":"10.1517\/17460441.1.1.31","volume":"1","author":"Dearden J. C","year":"2006","journal-title":"Expert Opin. Drug Discovery"},{"key":"ci700307pb00006\/ci700307pb00006_1","first-page":"509","volume":"48","author":"Ran Y.","year":"2002","journal-title":"Chemosphere"},{"key":"ci700307pb00007\/ci700307pb00007_1","first-page":"1217","volume":"41","author":"Ran Y.","year":"2001","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci700307pb00008\/ci700307pb00008_1","first-page":"357","volume":"41","author":"Ran Y.","year":"2001","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci700307pb00009\/ci700307pb00009_1","doi-asserted-by":"crossref","first-page":"533","DOI":"10.1002\/jps.10022","volume":"91","author":"Yang G.","year":"2002","journal-title":"J. Pharm. Sci."},{"key":"ci700307pb00010\/ci700307pb00010_1","doi-asserted-by":"crossref","first-page":"305","DOI":"10.1016\/j.ejps.2006.05.013","volume":"29","author":"Wassvik C. M.","year":"2006","journal-title":"Eur. J. Pharm. Sci."},{"key":"ci700307pb00011\/ci700307pb00011_1","doi-asserted-by":"crossref","first-page":"1005","DOI":"10.1021\/ci034243x","volume":"44","author":"Delaney J. S.","year":"2004","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci700307pb00012\/ci700307pb00012_1","doi-asserted-by":"crossref","first-page":"158","DOI":"10.1021\/ci060164k","volume":"47","author":"Palmer D. S.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"key":"ci700307pb00013\/ci700307pb00013_1","doi-asserted-by":"crossref","first-page":"1488","DOI":"10.1021\/ci049909h","volume":"44","author":"Bergstrom C. A.","year":"2004","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci700307pb00014\/ci700307pb00014_1","doi-asserted-by":"crossref","first-page":"188","DOI":"10.1023\/A:1014224900524","volume":"19","author":"Bergstrom C. A.","year":"2002","journal-title":"Pharm. Res."},{"key":"ci700307pb00015\/ci700307pb00015_1","first-page":"777","volume":"40","author":"Huuskonen J","year":"2000","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci700307pb00016\/ci700307pb00016_1","doi-asserted-by":"crossref","first-page":"1088","DOI":"10.1016\/S0223-5234(00)01186-7","volume":"35","author":"Huuskonen J.","year":"2000","journal-title":"Eur. J. Med. Chem."},{"key":"ci700307pb00017\/ci700307pb00017_1","doi-asserted-by":"crossref","first-page":"176","DOI":"10.1021\/ci049797u","volume":"45","author":"Catana C.","year":"2005","journal-title":"J. Chem. Inf. Model."},{"key":"ci700307pb00018\/ci700307pb00018_1","first-page":"725","volume":"38","author":"Katritzky A. R.","year":"1998","journal-title":"J. Chem. Inf. Model."},{"key":"ci700307pb00019\/ci700307pb00019_1","doi-asserted-by":"crossref","first-page":"3008","DOI":"10.1016\/0045-6535(95)00160-A","volume":"31","author":"Walters A. E.","year":"1995","journal-title":"Chemosphere"},{"key":"ci700307pb00020\/ci700307pb00020_1","first-page":"321","volume":"19","author":"Law D.","year":"2002","journal-title":"Pharm. Res."},{"key":"ci700307pb00021\/ci700307pb00021_1","doi-asserted-by":"crossref","first-page":"265","DOI":"10.1021\/cg010009s","volume":"1","author":"Katritzky A. R.","year":"2001","journal-title":"Cryst. Growth Des."},{"key":"ci700307pb00022\/ci700307pb00022_1","doi-asserted-by":"crossref","first-page":"2422","DOI":"10.1021\/ci060149f","volume":"46","author":"Nigsch F.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ci700307pb00023\/ci700307pb00023_1","doi-asserted-by":"crossref","first-page":"350","DOI":"10.1021\/jo01265a071","volume":"33","author":"Hansch C.","year":"1968","journal-title":"J. Org. Chem."},{"key":"ci700307pb00024\/ci700307pb00024_1","doi-asserted-by":"crossref","first-page":"204","DOI":"10.1038\/nrd1032","volume":"2","author":"van de Waterbeemd H.","year":"2003","journal-title":"Nat. Rev. Drug Discovery"},{"key":"ci700307pb00025\/ci700307pb00025_1","volume-title":"The Organic Chemistry of Drug Design and Drug Action","author":"Silverman R. B.","year":"2004","edition":"2"},{"key":"ci700307pb00026\/ci700307pb00026_1","doi-asserted-by":"crossref","first-page":"25","DOI":"10.1016\/S0169-409X(96)00423-1","volume":"23","author":"Lipinski C. A.","year":"1997","journal-title":"Adv. Drug Delivery Rev."},{"key":"ci700307pb00027\/ci700307pb00027_1","doi-asserted-by":"crossref","first-page":"2576","DOI":"10.1021\/jm049377w","volume":"48","author":"Faller B.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ci700307pb00028\/ci700307pb00028_1","first-page":"178","volume":"19","author":"Chou J. T.","year":"1979","journal-title":"J. Chem. Inf. Model."},{"key":"ci700307pb00029\/ci700307pb00029_1","doi-asserted-by":"crossref","first-page":"192","DOI":"10.1016\/j.ijpharm.2005.01.023","volume":"294","author":"Machatha S. G.","year":"2005","journal-title":"Int. J. Pharm."},{"key":"ci700307pb00030\/ci700307pb00030_1","doi-asserted-by":"crossref","first-page":"475","DOI":"10.1002\/qsar.200390036","volume":"22","author":"Mannhold R.","year":"2003","journal-title":"QSAR Comb. Sci."},{"key":"ci700307pb00031\/ci700307pb00031_1","doi-asserted-by":"crossref","first-page":"1829","DOI":"10.2174\/0929867023369042","volume":"9","author":"Eros D.","year":"2002","journal-title":"Curr. Med. Chem."},{"key":"ci700307pb00032\/ci700307pb00032_1","doi-asserted-by":"crossref","first-page":"3110","DOI":"10.1002\/jps.20217","volume":"93","author":"Tetko I. V.","year":"2004","journal-title":"J. Pharm. Sci."},{"key":"ci700307pb00033\/ci700307pb00033_1","first-page":"549","volume":"42","author":"Raevsky O. A.","year":"2002","journal-title":"J. Chem. Inf. Model."},{"key":"ci700307pb00034\/ci700307pb00034_1","first-page":"757","volume":"44","author":"Sun H","year":"2004","journal-title":"J. Chem. Inf. Model."},{"key":"ci700307pb00035\/ci700307pb00035_1","doi-asserted-by":"crossref","first-page":"1084","DOI":"10.1021\/ci034006u","volume":"43","author":"Wegner J. K.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci700307pb00036\/ci700307pb00036_1","doi-asserted-by":"crossref","first-page":"1029","DOI":"10.1021\/ci049610z","volume":"45","author":"Shen Q.","year":"2005","journal-title":"J. Chem. Inf. Model."},{"key":"ci700307pb00037\/ci700307pb00037_1","doi-asserted-by":"crossref","first-page":"E105","DOI":"10.1208\/aapsj070110","volume":"7","author":"Rytting E.","year":"2005","journal-title":"AAPS J."},{"key":"ci700307pb00038\/ci700307pb00038_1","volume-title":"CRC Handbook of Chemistry and Physics","author":"Lide D. R.","year":"2003","edition":"84"},{"key":"ci700307pb00039\/ci700307pb00039_1","volume-title":"The Merck Index","author":"O'Neil M. J.","year":"2006","edition":"14"},{"key":"ci700307pb00040\/ci700307pb00040_1","volume-title":"Chemical Abstracts Service","author":"SciFinder Scholar","year":"2007"},{"key":"ci700307pb00041\/ci700307pb00041_1","volume-title":"http:\/\/www.syrres.com\/esc\/epi.htm (accessed","author":"Suite","year":"2007"},{"key":"ci700307pb00042\/ci700307pb00042_1","doi-asserted-by":"crossref","first-page":"477","DOI":"10.1016\/S0731-7085(96)01883-3","volume":"15","author":"Salminen T.","year":"1997","journal-title":"J. Pharm. Biomed. Anal."},{"key":"ci700307pb00043\/ci700307pb00043_1","first-page":"2010","volume":"2001","author":"Zissimos A. M.","year":"2002","journal-title":"J. Chem. Soc., Perkin Trans. 2"},{"key":"ci700307pb00044\/ci700307pb00044_1","unstructured":"MOE; Chemical Computing Group, Inc.\u2009 Montreal, Quebec, Canada, 2007."},{"key":"ci700307pb00045\/ci700307pb00045_1","doi-asserted-by":"crossref","first-page":"3228","DOI":"10.1016\/0040-4020(80)80168-2","volume":"36","author":"Gasteiger J.","year":"1980","journal-title":"Tetrahedron"},{"key":"ci700307pb00046\/ci700307pb00046_1","unstructured":"Todeschini, R.; Consonni, V.; Mauri, A.; Pavan, M.DragonProfessional, 5; Milano, Italy, 2004."},{"key":"ci700307pb00047\/ci700307pb00047_1","volume-title":"R:\u2009 A language and environment for statistical computing","author":"Development Core Team","year":"2006"},{"key":"ci700307pb00048\/ci700307pb00048_1","volume-title":"R version 2.0-0","author":"Wehrens R.","year":"2006"},{"key":"ci700307pb00049\/ci700307pb00049_1","first-page":"22","volume":"2","author":"Liaw A.","year":"2002","journal-title":"R News"},{"key":"ci700307pb00050\/ci700307pb00050_1","doi-asserted-by":"crossref","first-page":"1958","DOI":"10.1021\/ci034160g","volume":"43","author":"Svetnik V.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci700307pb00051\/ci700307pb00051_1","doi-asserted-by":"crossref","first-page":"2380","DOI":"10.1021\/ci0601160","volume":"46","author":"Cannon E. O.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ci700307pb00052\/ci700307pb00052_1","volume-title":"R package version 1.5-16","author":"Dimitriadou E.","year":"2006"},{"key":"ci700307pb00053\/ci700307pb00053_1","doi-asserted-by":"crossref","first-page":"153","DOI":"10.1021\/jm00326a002","volume":"8","author":"Iwasa J.","year":"1965","journal-title":"J. Med. Chem."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci700307p","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,3,6]],"date-time":"2023-03-06T01:09:05Z","timestamp":1678064945000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci700307p"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2008,1,1]]},"references-count":53,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2008,1,1]]}},"alternative-id":["10.1021\/ci700307p"],"URL":"https:\/\/doi.org\/10.1021\/ci700307p","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2008,1,1]]}}}