{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,9,21]],"date-time":"2025-09-21T17:37:45Z","timestamp":1758476265499},"reference-count":27,"publisher":"American Chemical Society (ACS)","issue":"6","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2006,11,1]]},"DOI":"10.1021\/ci0600105","type":"journal-article","created":{"date-parts":[[2006,6,10]],"date-time":"2006-06-10T14:55:32Z","timestamp":1149951332000},"page":"2299-2304","source":"Crossref","is-referenced-by-count":7,"title":["Modeling of Gibbs Energy of Formation of Organic Compounds by Linear and Nonlinear Methods"],"prefix":"10.1021","volume":"46","author":[{"given":"Aixia","family":"Yan","sequence":"first","affiliation":[{"name":"State Key Laboratory of Chemical Resource Engineering, Department of Pharmaceutical Engineering, P.O. Box 53, Beijing University of Chemical Technology, 15 BeiSanHuan East Road, Beijing 100029, P. R. China"}]}],"member":"316","published-online":{"date-parts":[[2006,6,3]]},"reference":[{"key":"ci0600105b00001\/ci0600105b00001_1","doi-asserted-by":"crossref","first-page":"643","DOI":"10.1016\/j.jct.2004.04.003","volume":"36","author":"Chirico R. D.","year":"2004","journal-title":"J. Chem. Thermodyn."},{"key":"ci0600105b00002\/ci0600105b00002_1","first-page":"37","volume":"36","author":"Genoni G. P","year":"1997","journal-title":"Ecotoxicol. Environ. Saf."},{"key":"ci0600105b00003\/ci0600105b00003_1","first-page":"334","volume":"104","author":"Alberty R. A","year":"2003","journal-title":"Biophys. Chem."},{"key":"ci0600105b00004\/ci0600105b00004_1","first-page":"643","volume":"40","author":"Ivanciuc O.","year":"2000","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci0600105b00005\/ci0600105b00005_1","doi-asserted-by":"crossref","first-page":"549","DOI":"10.1021\/ci000086f","volume":"41","author":"Ivanciuc O.","year":"2001","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci0600105b00006\/ci0600105b00006_1","first-page":"10","volume":"637","author":"Toropov A. A.","year":"2003","journal-title":"THEOCHEM"},{"key":"ci0600105b00007\/ci0600105b00007_1","first-page":"8525","volume":"108","author":"Wang X. J.","year":"2004","journal-title":"J. Phys. Chem. A"},{"key":"ci0600105b00008\/ci0600105b00008_1","volume-title":"Neural Networks in Chemistry and Drug Design","author":"Zupan J.","year":"1999","edition":"2"},{"key":"ci0600105b00009\/ci0600105b00009_1","volume-title":"Chemical Properties Handbook","author":"Yaws C. L.","year":"1999"},{"key":"ci0600105b00010\/ci0600105b00010_1","unstructured":"(a) ADRIANA.Code can be obtained from Molecular Networks [http:\/\/www.mol-net.de(accessed Apr 2006)]."},{"key":"ci0600105b00011\/ci0600105b00011_1","first-page":"116","volume":"34","author":"Ihlenfeldt W. D.","year":"1994","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci0600105b00012\/ci0600105b00012_1","first-page":"51","volume":"2","author":"Terfloth L.","year":"2001","journal-title":"ScreeningTrends Drug Discovery"},{"key":"ci0600105b00013\/ci0600105b00013_1","volume-title":"Developed at University of Stuttgart, Maintained at University of T\u00fcbingen","author":"Stuttgart Neural Network Simulator","year":"1995"},{"key":"ci0600105b00014\/ci0600105b00014_1","doi-asserted-by":"crossref","first-page":"3184","DOI":"10.1016\/0040-4020(78)88015-6","volume":"34","author":"Gasteiger J.","year":"1978","journal-title":"Tetrahedron Lett."},{"key":"ci0600105b00015\/ci0600105b00015_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":"ci0600105b00016\/ci0600105b00016_1","unstructured":"Kleinoeder, T. Prediction of Properties of Organic Compounds. Ph.D. Thesis, University of Erlangen-Nuernberg:\u2009 Erlangen, Germany, 2005."},{"key":"ci0600105b00017\/ci0600105b00017_1","doi-asserted-by":"crossref","first-page":"2544","DOI":"10.1016\/S0040-4039(00)81976-0","volume":"24","author":"Hutchings M. G.","year":"1983","journal-title":"Tetrahedron Lett."},{"key":"ci0600105b00018\/ci0600105b00018_1","first-page":"564","volume":"559","author":"Gasteiger J.","year":"1984","journal-title":"J. Chem. Soc., Perkin Trans. 2"},{"key":"ci0600105b00019\/ci0600105b00019_1","doi-asserted-by":"crossref","first-page":"3717","DOI":"10.1021\/jm000942e","volume":"43","author":"Ertl P.","year":"2000","journal-title":"J. Med. Chem."},{"key":"ci0600105b00020\/ci0600105b00020_1","first-page":"8542","volume":"112","author":"Miller K. J","year":"1990","journal-title":"J. Am. Chem. Soc."},{"key":"ci0600105b00021\/ci0600105b00021_1","doi-asserted-by":"crossref","first-page":"7775","DOI":"10.1021\/ja00134a023","volume":"117","author":"Wagener M.","year":"1995","journal-title":"J. Am. Chem. Soc."},{"key":"ci0600105b00022\/ci0600105b00022_1","doi-asserted-by":"crossref","first-page":"6495","DOI":"10.1021\/ja00334a006","volume":"106","author":"Gasteiger J.","year":"1984","journal-title":"J. Am. Chem. Soc."},{"key":"ci0600105b00023\/ci0600105b00023_1","doi-asserted-by":"crossref","first-page":"9159","DOI":"10.1021\/ja00073a034","volume":"115","author":"Simon V.","year":"1993","journal-title":"J. Am. Chem. Soc."},{"key":"ci0600105b00024\/ci0600105b00024_1","first-page":"434","volume":"43","author":"Yan A. X.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci0600105b00025\/ci0600105b00025_1","first-page":"829","volume":"22","author":"Yan A. X.","year":"2003","journal-title":"QSAR Comb. Sci."},{"key":"ci0600105b00026\/ci0600105b00026_1","first-page":"87","volume":"18","author":"Yan A. X.","year":"2004","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ci0600105b00027\/ci0600105b00027_1","doi-asserted-by":"crossref","first-page":"833","DOI":"10.1021\/ci00027a006","volume":"35","author":"Tetko I. V.","year":"1995","journal-title":"J. Chem. Inf. Comput. Sci."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci0600105","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,3,15]],"date-time":"2023-03-15T05:49:11Z","timestamp":1678859351000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci0600105"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2006,6,3]]},"references-count":27,"journal-issue":{"issue":"6","published-print":{"date-parts":[[2006,11,1]]}},"alternative-id":["10.1021\/ci0600105"],"URL":"https:\/\/doi.org\/10.1021\/ci0600105","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2006,6,3]]}}}