{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,3]],"date-time":"2026-04-03T06:51:47Z","timestamp":1775199107514,"version":"3.50.1"},"reference-count":23,"publisher":"American Chemical Society (ACS)","issue":"4","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2010,4,26]]},"DOI":"10.1021\/ci900471e","type":"journal-article","created":{"date-parts":[[2010,3,10]],"date-time":"2010-03-10T13:05:36Z","timestamp":1268226336000},"page":"677-689","source":"Crossref","is-referenced-by-count":25,"title":["Evaluation of Quantitative Structure\u2212Activity Relationship Modeling Strategies: Local and Global Models"],"prefix":"10.1021","volume":"50","author":[{"given":"Ernst Ahlberg","family":"Helgee","sequence":"first","affiliation":[{"name":"Safety Assessment, AstraZeneca Research & Development, 43183 M\u00f6lndal, Sweden, and Medicinal Chemistry, AstraZeneca Research & Development 15185 S\u00f6dert\u00e4lje, Sweden"}]},{"given":"Lars","family":"Carlsson","sequence":"additional","affiliation":[{"name":"Safety Assessment, AstraZeneca Research & Development, 43183 M\u00f6lndal, Sweden, and Medicinal Chemistry, AstraZeneca Research & Development 15185 S\u00f6dert\u00e4lje, Sweden"}]},{"given":"Scott","family":"Boyer","sequence":"additional","affiliation":[{"name":"Safety Assessment, AstraZeneca Research & Development, 43183 M\u00f6lndal, Sweden, and Medicinal Chemistry, AstraZeneca Research & Development 15185 S\u00f6dert\u00e4lje, Sweden"}]},{"given":"Ulf","family":"Norinder","sequence":"additional","affiliation":[{"name":"Safety Assessment, AstraZeneca Research & Development, 43183 M\u00f6lndal, Sweden, and Medicinal Chemistry, AstraZeneca Research & Development 15185 S\u00f6dert\u00e4lje, Sweden"}]}],"member":"316","published-online":{"date-parts":[[2010,3,10]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"1836","DOI":"10.1021\/ci060064e","volume":"46","author":"Guha R.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"1984","DOI":"10.1021\/ci060132x","volume":"46","author":"Zhang S.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"4350","DOI":"10.1021\/jm020155c","volume":"45","author":"Martin Y. C.","year":"2002","journal-title":"J. Med. Chem."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"159","DOI":"10.1021\/ci600299j","volume":"47","author":"Yuan H.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"189","DOI":"10.1007\/s10822-006-9095-6","volume":"21","author":"Gavaghan C. L.","year":"2006","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"238","DOI":"10.1002\/qsar.200630020","volume":"26","author":"Schultz T. W.","year":"2007","journal-title":"QSAR Comb. Sci."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"700","DOI":"10.1016\/j.drudis.2006.06.013","volume":"11","author":"Tetko I. V.","year":"2006","journal-title":"Drug Discovery Today"},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"13","DOI":"10.1006\/jcph.1994.1114","volume":"113","author":"Henshaw W. D.","year":"1994","journal-title":"J. Comput. Phys."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"191","DOI":"10.1002\/qsar.19910100302","volume":"10","author":"Wold S.","year":"1991","journal-title":"Quant. Struct.\u2212Act. Relat."},{"key":"ref10\/cit10","isbn-type":"print","volume-title":"R: A Language and Environment for Statistical Computing","year":"2008","ISBN":"https:\/\/id.crossref.org\/isbn\/3900051070"},{"key":"ref11\/cit11","volume-title":"e1071: Misc Functions of the Department of Statistics (e1071)","author":"Dimitriadou E.","year":"2006"},{"key":"ref12\/cit12","first-page":"18","volume":"2","author":"Liaw A.","year":"2002","journal-title":"R News"},{"key":"ref13\/cit13","volume-title":"pls: Partial Least Squares Regression (PLSR) and Principal Component Regression (PCR","author":"Wehrens R.","year":"2007"},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"782","DOI":"10.1073\/pnas.70.3.782","volume":"70","author":"Ames B.","year":"1973","journal-title":"Proc. Natl. Acad. Sci."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"312","DOI":"10.1021\/jm040835a","volume":"48","author":"Kazius J.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ref16\/cit16","unstructured":"Faulon, J.L.Translator.http:\/\/www.cs.sandia.gov\/ \u223cjfaulon\/QSAR\/translator.tar.gz(Accessed June 12, 2008)."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"464","DOI":"10.1016\/S1093-3263(00)00068-1","volume":"18","author":"Labute P.","year":"2000","journal-title":"J. Mol. Graphics Modell."},{"key":"ref18\/ref18_1","unstructured":"Fingerprints.http:\/\/daylight.com\/dayhtml\/doc\/theory\/theory.finger.html(Accessed August 23, 2009)."},{"key":"ref19\/cit19","volume-title":"Orange: From Experimental Machine Learning to Interactive Data Mining","author":"Demsar J.","year":"2004"},{"key":"ref20\/cit20","unstructured":"Chang, C.C.; Lin, C.J.LIBSVM: A library for support vector machines, 2001,http:\/\/www.csie.ntu.edu.tw\/cjlin\/libsvm."},{"key":"ref21\/ref21_1","unstructured":"OpenCV.http:\/\/opencv.willowgarage.com\/wiki\/(Accessed May 28, 2009)."},{"key":"ref22\/cit22","first-page":"49","volume":"7","author":"Penzotti J. E.","year":"2004","journal-title":"Curr. Opin. Drug Discovery Dev."},{"issue":"11","key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"2551","DOI":"10.1021\/ci9002206","volume":"49","author":"Carlsson L.","year":"2009","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\/ci900471e","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,3,22]],"date-time":"2023-03-22T05:11:45Z","timestamp":1679461905000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci900471e"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2010,3,10]]},"references-count":23,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2010,4,26]]}},"alternative-id":["10.1021\/ci900471e"],"URL":"https:\/\/doi.org\/10.1021\/ci900471e","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2010,3,10]]}}}