{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,3]],"date-time":"2026-06-03T02:33:20Z","timestamp":1780454000321,"version":"3.54.1"},"reference-count":41,"publisher":"American Chemical Society (ACS)","issue":"6","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Comput. Sci."],"published-print":{"date-parts":[[2003,11,1]]},"DOI":"10.1021\/ci034107s","type":"journal-article","created":{"date-parts":[[2003,11,24]],"date-time":"2003-11-24T05:51:36Z","timestamp":1069653096000},"page":"1855-1859","source":"Crossref","is-referenced-by-count":81,"title":["Support Vector Machines for the Estimation of Aqueous Solubility"],"prefix":"10.1021","volume":"43","author":[{"given":"Peter","family":"Lind","sequence":"first","affiliation":[{"name":"Medivir AB, Lunastigen 7, 141 44 Huddinge, Sweden"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tatiana","family":"Maltseva","sequence":"additional","affiliation":[{"name":"Medivir AB, Lunastigen 7, 141 44 Huddinge, Sweden"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2003,10,17]]},"reference":[{"issue":"2","key":"ci034107sb00001\/ci034107sb00001_1","doi-asserted-by":"crossref","first-page":"445","DOI":"10.1021\/ci000152d","volume":"41","author":"Klopman G.","year":"2001","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci034107sb00002\/ci034107sb00002_1","doi-asserted-by":"crossref","first-page":"482","DOI":"10.1021\/ci00009a013","volume":"32","author":"Klopman G.","year":"1992","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci034107sb00003\/ci034107sb00003_1","doi-asserted-by":"crossref","first-page":"4681","DOI":"10.1248\/cpb.34.4663","volume":"34","author":"Wakita K.","year":"1986","journal-title":"Chem. Pharm. Bull. (Tokyo)"},{"key":"ci034107sb00004\/ci034107sb00004_1","doi-asserted-by":"crossref","first-page":"166","DOI":"10.1007\/BF00129753","volume":"5","author":"Suzuki T","year":"1991","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ci034107sb00005\/ci034107sb00005_1","doi-asserted-by":"crossref","first-page":"2077","DOI":"10.1016\/0045-6535(95)00084-L","volume":"30","author":"Kuhne R.","year":"1995","journal-title":"Chemosphere"},{"key":"ci034107sb00006\/ci034107sb00006_1","first-page":"2144","volume":"33","author":"Lee Y.","year":"1996","journal-title":"Chemosphere"},{"key":"ci034107sb00007\/ci034107sb00007_1","first-page":"777","volume":"40","author":"Huuskonen J","year":"2000","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci034107sb00008\/ci034107sb00008_1","first-page":"725","volume":"38","author":"Katritzky A. R.","year":"1998","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci034107sb00009\/ci034107sb00009_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":"ci034107sb00010\/ci034107sb00010_1","doi-asserted-by":"crossref","DOI":"10.1021\/ci020279y","volume":"43","author":"Butina D.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci034107sb00011\/ci034107sb00011_1","doi-asserted-by":"crossref","first-page":"1616","DOI":"10.1021\/ci010363y","volume":"41","author":"Bruneau P","year":"2001","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci034107sb00012\/ci034107sb00012_1","volume-title":"Fifth Annual Workshop on Computational Learning Theory; ACM:\u2009 Pittsburgh","author":"Boser B."},{"key":"ci034107sb00013\/ci034107sb00013_1","doi-asserted-by":"crossref","first-page":"14","DOI":"10.1016\/S0097-8485(01)00094-8","volume":"26","author":"Burbidge R.","year":"2001","journal-title":"Comput. Chem."},{"key":"ci034107sb00014\/ci034107sb00014_1","doi-asserted-by":"crossref","first-page":"240","DOI":"10.1002\/1521-3838(200110)20:3<227::AID-QSAR227>3.0.CO;2-Y","volume":"20","author":"Czerminski R.","year":"2001","journal-title":"Quant. Struct.-Act. Relat."},{"key":"ci034107sb00015\/ci034107sb00015_1","doi-asserted-by":"crossref","DOI":"10.1007\/978-1-4757-2440-0","volume-title":"The Nature of Statistical Learning Theory","author":"Vapnik V. N.","year":"1995"},{"key":"ci034107sb00016\/ci034107sb00016_1","doi-asserted-by":"crossref","DOI":"10.1017\/CBO9780511801389","volume-title":"An introduction to Support Vector Machines and Other Kernel-Based Learning Methods","author":"Christianini N.","year":"2000"},{"key":"ci034107sb00017\/ci034107sb00017_1","volume-title":"Learning Kernel Classifiers:\u2009 theory and algorithms","author":"Herbrich R.","year":"2002"},{"key":"ci034107sb00018\/ci034107sb00018_1","volume-title":"Regularization, Optimization, and Beyond","author":"Sch\u00f6lkopf B."},{"key":"ci034107sb00019\/ci034107sb00019_1","first-page":"446","volume":"209","author":"Mercer J","year":"1909","journal-title":"Philos. Trans. R. Soc. London, Ser. A"},{"key":"ci034107sb00020\/ci034107sb00020_1","volume-title":"An elementary mathematical theory of classification and prediction","author":"Tanimoto T.","year":"1958"},{"key":"ci034107sb00021\/ci034107sb00021_1","doi-asserted-by":"crossref","first-page":"48","DOI":"10.1007\/BF01896809","volume":"3","author":"Gower J. C.","year":"1986","journal-title":"J. Classification"},{"key":"ci034107sb00022\/ci034107sb00022_1","first-page":"211","volume":"2","author":"P\u0229kalska E.","year":"2001","journal-title":"J. Machine Learning Res."},{"key":"ci034107sb00023\/ci034107sb00023_1","first-page":"996","volume":"38","author":"Willet P","year":"1998","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci034107sb00024\/ci034107sb00024_1","first-page":"162","volume":"40","author":"Wild D. J.","year":"2000","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci034107sb00025\/ci034107sb00025_1","doi-asserted-by":"crossref","first-page":"442","DOI":"10.1021\/ci025596j","volume":"43","author":"Salim N.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"issue":"2","key":"ci034107sb00026\/ci034107sb00026_1","doi-asserted-by":"crossref","first-page":"166","DOI":"10.2174\/1386207024607338","volume":"5","author":"Holliday J. D.","year":"2002","journal-title":"Comb. Chem. High Throughput Screening"},{"key":"ci034107sb00027\/ci034107sb00027_1","doi-asserted-by":"crossref","unstructured":"Platt, J.Fast Training of Support Vector Machines using SequentialMinimal Optimization; Microsoft Research Technical Report MSR-TR-98-14; 1998.","DOI":"10.7551\/mitpress\/1130.003.0016"},{"key":"ci034107sb00028\/ci034107sb00028_1","unstructured":"Software and documentation from Accelrys Inc., 9685 Scranton Road, San Diego, CA 92121-3752, U.S.A., www.accelrys.com."},{"key":"ci034107sb00033\/ci034107sb00033_1","unstructured":"Software and documentation from Tripos, Inc., 1699 South Hanley Road, St. Louis, MO 63144-2913, U.S.A., www.tripos.com."},{"key":"ci034107sb00034\/ci034107sb00034_1","first-page":"500","volume":"43","author":"Steinbeck C.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci034107sb00036\/ci034107sb00036_1","unstructured":"Chang, C.C.; Lin, C.J. LIBSVM:\u2009 A library for support vector machines. 2001. Software available athttp:\/\/www.csie.ntu.edu.tw\/\u223ccjlin\/libsvm."},{"key":"ci034107sb00037\/ci034107sb00037_1","volume-title":"11 In Making large-Scale SVM Learning Practical. Advances in Kernel Methods \u2212 Support Vector Learning","author":"Joachims T.","year":"1999"},{"key":"ci034107sb00038\/ci034107sb00038_1","doi-asserted-by":"crossref","first-page":"36","DOI":"10.1021\/ci00057a006","volume":"28","author":"Weiniger D.","year":"1988","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci034107sb00040\/ci034107sb00040_1","volume-title":"The Arizona Database of Aqueous Solubility","author":"Yalkowsky S. H.","year":"1990"},{"key":"ci034107sb00041\/ci034107sb00041_1","volume-title":"Physical\/Chemical Property Database (PHYSPROP)","author":"Syracuse Research Corporation","year":"1994"},{"key":"ci034107sb00042\/ci034107sb00042_1","first-page":"1493","volume":"41","author":"Tetko I. V.","year":"2001","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci034107sb00043\/ci034107sb00043_1","first-page":"434","volume":"43","author":"Yan A.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci034107sb00044\/ci034107sb00044_1","first-page":"1639","volume":"41","author":"Liu R.","year":"2001","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci034107sb00045\/ci034107sb00045_1","volume-title":"Molecular Structure Description \u2212 The Electrotopological State","author":"Kier L. B.","year":"1999"},{"key":"ci034107sb00046\/ci034107sb00046_1","volume-title":"Pharmacopeia","author":"Cheng A."},{"issue":"4","key":"ci034107sb00047\/ci034107sb00047_1","first-page":"503","volume":"19","author":"Gao H.","year":"2002","journal-title":"Pharm. Res."}],"container-title":["Journal of Chemical Information and Computer Sciences"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci034107s","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,27]],"date-time":"2023-04-27T14:26:18Z","timestamp":1682605578000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci034107s"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2003,10,17]]},"references-count":41,"journal-issue":{"issue":"6","published-print":{"date-parts":[[2003,11,1]]}},"alternative-id":["10.1021\/ci034107s"],"URL":"https:\/\/doi.org\/10.1021\/ci034107s","relation":{},"ISSN":["0095-2338"],"issn-type":[{"value":"0095-2338","type":"print"}],"subject":[],"published":{"date-parts":[[2003,10,17]]}}}