{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,25]],"date-time":"2026-03-25T21:40:56Z","timestamp":1774474856484,"version":"3.50.1"},"reference-count":30,"publisher":"American Chemical Society (ACS)","issue":"5","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2007,9,24]]},"DOI":"10.1021\/ci7000633","type":"journal-article","created":{"date-parts":[[2007,6,29]],"date-time":"2007-06-29T17:31:33Z","timestamp":1183138293000},"page":"1847-1857","source":"Crossref","is-referenced-by-count":187,"title":["Gaussian Processes:\u2009 A Method for Automatic QSAR Modeling of ADME Properties"],"prefix":"10.1021","volume":"47","author":[{"given":"Olga","family":"Obrezanova","sequence":"first","affiliation":[{"name":"BioFocus DPI, 127 Cambridge Science Park, Milton Road, Cambridge, CB4 0GD, United Kingdom, and Cavendish Laboratory, University of Cambridge, J J Thomson Avenue, Cambridge, CB3 0HE, United Kingdom"}]},{"given":"G\u00e1bor","family":"Cs\u00e1nyi","sequence":"additional","affiliation":[{"name":"BioFocus DPI, 127 Cambridge Science Park, Milton Road, Cambridge, CB4 0GD, United Kingdom, and Cavendish Laboratory, University of Cambridge, J J Thomson Avenue, Cambridge, CB3 0HE, United Kingdom"}]},{"given":"Joelle M. R.","family":"Gola","sequence":"additional","affiliation":[{"name":"BioFocus DPI, 127 Cambridge Science Park, Milton Road, Cambridge, CB4 0GD, United Kingdom, and Cavendish Laboratory, University of Cambridge, J J Thomson Avenue, Cambridge, CB3 0HE, United Kingdom"}]},{"given":"Matthew D.","family":"Segall","sequence":"additional","affiliation":[{"name":"BioFocus DPI, 127 Cambridge Science Park, Milton Road, Cambridge, CB4 0GD, United Kingdom, and Cavendish Laboratory, University of Cambridge, J J Thomson Avenue, Cambridge, CB3 0HE, United Kingdom"}]}],"member":"316","published-online":{"date-parts":[[2007,6,28]]},"reference":[{"key":"ci7000633b00001\/ci7000633b00001_1","doi-asserted-by":"crossref","first-page":"337","DOI":"10.1517\/17425255.2.2.325","volume":"2","author":"Segall M. D.","year":"2006","journal-title":"Expert Opin. Drug Metab. Toxicol."},{"key":"ci7000633b00002\/ci7000633b00002_1","volume-title":"Information Theory, Inference, and Learning Algorithms","author":"MacKay D. J. C.","year":"2003"},{"key":"ci7000633b00003\/ci7000633b00003_1","volume-title":"Gaussian Processes for Machine Learning","author":"Rasmussen C. E.","year":"2006"},{"key":"ci7000633b00004\/ci7000633b00004_1","unstructured":"Gaussian Processes Resources. The Gaussian Processes Web Site.http:\/\/www.gaussianprocess.org(accessed Feb 10, 2007)."},{"key":"ci7000633b00005\/ci7000633b00005_1","doi-asserted-by":"crossref","first-page":"835","DOI":"10.1021\/ci000459c","volume":"41","author":"Burden F. R","year":"2001","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci7000633b00006\/ci7000633b00006_1","doi-asserted-by":"crossref","first-page":"469","DOI":"10.1080\/10629360108035385","volume":"12","author":"Enot D.","year":"2001","journal-title":"SAR QSAR Environ. Res."},{"key":"ci7000633b00007\/ci7000633b00007_1","doi-asserted-by":"crossref","first-page":"1653","DOI":"10.1021\/ci034255i","volume":"44","author":"Tino P.","year":"2004","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci7000633b00008\/ci7000633b00008_1","doi-asserted-by":"crossref","first-page":"424","DOI":"10.1021\/ci600205g","volume":"47","author":"Schwaighofer A.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"key":"ci7000633b00009\/ci7000633b00009_1","doi-asserted-by":"crossref","DOI":"10.1007\/978-1-4612-0745-0","volume-title":"Bayesian Learning for Neural Networks","author":"Neal R. M.","year":"1996"},{"key":"ci7000633b00010\/ci7000633b00010_1","doi-asserted-by":"crossref","first-page":"833","DOI":"10.1007\/s10822-005-9029-8","volume":"19","author":"Cartmell J.","year":"2005","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ci7000633b00011\/ci7000633b00011_1","first-page":"1995","volume":"46","author":"Zhang S.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ci7000633b00012\/ci7000633b00012_1","volume-title":"Efficient Implementation of Gaussian Processes","author":"Gibbs M.","year":"1997"},{"key":"ci7000633b00013\/ci7000633b00013_1","volume-title":"Valencia\/ISBA 8th World Meeting on Bayesian Statistics","author":"Skilling J.","year":"2006"},{"key":"ci7000633b00014\/ci7000633b00014_1","first-page":"505","volume":"22","author":"Winkler D. A.","year":"2004","journal-title":"J. Mol. Graphics Modell."},{"key":"ci7000633b00015\/ci7000633b00015_1","doi-asserted-by":"crossref","DOI":"10.1002\/9781118887486","volume-title":"Applied Multivariate Data Analysis","author":"Everitt B. S.","year":"2001","edition":"2"},{"key":"ci7000633b00016\/ci7000633b00016_1","volume-title":"An Introduction to the Conjugate Gradient Method Without the Agonizing Pain","author":"Shewchuk J. R.","year":"1994"},{"key":"ci7000633b00017\/ci7000633b00017_1","volume-title":"Numerical Recipes in C:\u2009 The Art of Scientific Computing","author":"Press W. H.","year":"1988"},{"key":"ci7000633b00018\/ci7000633b00018_1","volume-title":"Models of Neural Networks III","author":"MacKay D. J. C.","year":"1994"},{"key":"ci7000633b00019\/ci7000633b00019_1","doi-asserted-by":"crossref","first-page":"1430","DOI":"10.1021\/ci000450a","volume":"40","author":"Burden F. R.","year":"2000","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci7000633b00020\/ci7000633b00020_1","doi-asserted-by":"crossref","DOI":"10.1086\/501068","volume-title":"A Nested Sampling Algorithm for Cosmological Model Selection","author":"Mukherjee P.","year":"2006"},{"key":"ci7000633b00021\/ci7000633b00021_1","doi-asserted-by":"crossref","first-page":"666","DOI":"10.1021\/ci010127n","volume":"42","author":"Rose K.","year":"2002","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci7000633b00022\/ci7000633b00022_1","volume-title":"version 0411","author":"St","year":"2004"},{"key":"ci7000633b00023\/ci7000633b00023_1","doi-asserted-by":"crossref","first-page":"459","DOI":"10.1002\/1439-7633(20020503)3:5<455::AID-CBIC455>3.0.CO;2-L","volume":"3","author":"Roche O.","year":"2002","journal-title":"ChemBioChem"},{"key":"ci7000633b00024\/ci7000633b00024_1","doi-asserted-by":"crossref","first-page":"750","DOI":"10.1021\/ci9803381","volume":"39","author":"Butina D","year":"1999","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci7000633b00025\/ci7000633b00025_1","doi-asserted-by":"crossref","first-page":"1936","DOI":"10.1021\/ci050413p","volume":"46","author":"Gedeck P.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ci7000633b00026\/ci7000633b00026_1","doi-asserted-by":"crossref","first-page":"276","DOI":"10.1016\/S1093-3263(01)00123-1","volume":"20","author":"Golbraikh A.","year":"2002","journal-title":"Mol. Graphics Modell."},{"key":"ci7000633b00027\/ci7000633b00027_1","first-page":"463","volume":"19","author":"Tetko I. V.","year":"2005","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ci7000633b00028\/ci7000633b00028_1","volume-title":"version 1.0","year":"2005"},{"key":"ci7000633b00029\/ci7000633b00029_1","first-page":"2022","volume-title":"The Encyclopedia of Computational Chemistry","volume":"3","author":"Wold S.","year":"1998"},{"key":"ci7000633b00030\/ci7000633b00030_1","doi-asserted-by":"crossref","first-page":"400","DOI":"10.1021\/ci050308f","volume":"46","author":"Song M.","year":"2006","journal-title":"J. Chem. Inf. Model."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci7000633","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,3,23]],"date-time":"2023-03-23T23:23:08Z","timestamp":1679613788000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci7000633"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2007,6,28]]},"references-count":30,"journal-issue":{"issue":"5","published-print":{"date-parts":[[2007,9,24]]}},"alternative-id":["10.1021\/ci7000633"],"URL":"https:\/\/doi.org\/10.1021\/ci7000633","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2007,6,28]]}}}