{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,19]],"date-time":"2025-10-19T05:37:04Z","timestamp":1760852224913},"reference-count":12,"publisher":"American Chemical Society (ACS)","issue":"6","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2005,11,1]]},"DOI":"10.1021\/ci050056i","type":"journal-article","created":{"date-parts":[[2005,11,28]],"date-time":"2005-11-28T05:20:37Z","timestamp":1133155237000},"page":"1791-1803","source":"Crossref","is-referenced-by-count":8,"title":["Prediction of Properties from Simulations:\u2009 A Re-examination with Modern Statistical Methods"],"prefix":"10.1021","volume":"45","author":[{"given":"R. A.","family":"Mansson","sequence":"first","affiliation":[{"name":"School of Mathematics and School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, U.K., and Centre for Mathematics and its Applications, The Australian National University, Canberra ACT 0200, Australia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"J. G.","family":"Frey","sequence":"additional","affiliation":[{"name":"School of Mathematics and School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, U.K., and Centre for Mathematics and its Applications, The Australian National University, Canberra ACT 0200, Australia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"J. W.","family":"Essex","sequence":"additional","affiliation":[{"name":"School of Mathematics and School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, U.K., and Centre for Mathematics and its Applications, The Australian National University, Canberra ACT 0200, Australia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"A. H.","family":"Welsh","sequence":"additional","affiliation":[{"name":"School of Mathematics and School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, U.K., and Centre for Mathematics and its Applications, The Australian National University, Canberra ACT 0200, Australia"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2005,10,7]]},"reference":[{"key":"ci050056ib00001\/ci050056ib00001_1","doi-asserted-by":"crossref","first-page":"2888","DOI":"10.1021\/ja993663t","volume":"122","author":"Duffy E. M.","year":"2000","journal-title":"J. Am. Chem. Soc."},{"key":"ci050056ib00002\/ci050056ib00002_1","doi-asserted-by":"crossref","DOI":"10.1002\/0471725382","volume-title":"Robust Regression & Outlier Detection","author":"Rousseeuw P. J.","year":"1987"},{"key":"ci050056ib00003\/ci050056ib00003_1","volume-title":"Robust Statistics:\u2009 The Approach Based on Influence Functions","author":"Hampel F. R.","year":"1986"},{"key":"ci050056ib00004\/ci050056ib00004_1","doi-asserted-by":"crossref","DOI":"10.1002\/9781118165485","volume-title":"Robust Estimation & Testing","author":"Staudte R. G.","year":"1990"},{"key":"ci050056ib00005\/ci050056ib00005_1","first-page":"318","volume":"297","author":"Hastie T.","year":"1986","journal-title":"Statistical Science"},{"key":"ci050056ib00006\/ci050056ib00006_1","volume-title":"Generalized Additive Models","author":"Hastie T. J.","year":"1990"},{"key":"ci050056ib00007\/ci050056ib00007_1","unstructured":"R Development Core Team.R:\u2009 A language and environment for statisticalcomputing; R Foundation for Statistical Computing:\u2009 Vienna, Austria, 2004; ISBN 3-900051-00-3."},{"key":"ci050056ib00008\/ci050056ib00008_1","first-page":"428","volume":"62","author":"Wood S. N","year":"2000","journal-title":"J. R. Stat. Soc. B"},{"key":"ci050056ib00009\/ci050056ib00009_1","first-page":"319","volume":"60","author":"Breiman L.","year":"1992","journal-title":"Int. Stat. Rev."},{"key":"ci050056ib00010\/ci050056ib00010_1","first-page":"665","volume":"91","author":"Shao J","year":"1996","journal-title":"J. Am. Stat. Assoc."},{"key":"ci050056ib00011\/ci050056ib00011_1","doi-asserted-by":"crossref","first-page":"355","DOI":"10.1016\/S0167-9473(02)00235-9","volume":"43","author":"Wisnowski J. W.","year":"2003","journal-title":"Comput. Stat. Data Anal."},{"key":"ci050056ib00012\/ci050056ib00012_1","doi-asserted-by":"crossref","unstructured":"Davison, A. C., Hinkley, D. V., Eds.Bootstrap Methods and their Application;Cambridge Series in Statistical and Probabilistic Mathematics, Cambridge University Press:\u2009 1997.","DOI":"10.1017\/CBO9780511802843"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci050056i","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2021,9,22]],"date-time":"2021-09-22T11:47:15Z","timestamp":1632311235000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci050056i"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2005,10,7]]},"references-count":12,"journal-issue":{"issue":"6","published-print":{"date-parts":[[2005,11,1]]}},"alternative-id":["10.1021\/ci050056i"],"URL":"https:\/\/doi.org\/10.1021\/ci050056i","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2005,10,7]]}}}