{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,5]],"date-time":"2026-05-05T18:15:51Z","timestamp":1778004951878,"version":"3.51.4"},"reference-count":42,"publisher":"American Chemical Society (ACS)","issue":"6","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2007,11,1]]},"DOI":"10.1021\/ci700257y","type":"journal-article","created":{"date-parts":[[2007,11,7]],"date-time":"2007-11-07T12:00:23Z","timestamp":1194436823000},"page":"2140-2148","source":"Crossref","is-referenced-by-count":786,"title":["Computation of Octanol\u2212Water Partition Coefficients by Guiding an Additive Model with Knowledge"],"prefix":"10.1021","volume":"47","author":[{"given":"Tiejun","family":"Cheng","sequence":"first","affiliation":[{"name":"State Key Laboratory of Bioorganic Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai, P. R. China"}]},{"given":"Yuan","family":"Zhao","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Bioorganic Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai, P. R. China"}]},{"given":"Xun","family":"Li","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Bioorganic Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai, P. R. China"}]},{"given":"Fu","family":"Lin","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Bioorganic Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai, P. R. China"}]},{"given":"Yong","family":"Xu","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Bioorganic Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai, P. R. China"}]},{"given":"Xinglong","family":"Zhang","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Bioorganic Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai, P. R. China"}]},{"given":"Yan","family":"Li","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Bioorganic Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai, P. R. China"}]},{"given":"Renxiao","family":"Wang","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Bioorganic Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai, P. R. China"}]},{"given":"Luhua","family":"Lai","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Structural Chemistry of Stable and Unstable Species, College of Chemistry, Peking University, Beijing, P. R. China"}]}],"member":"316","published-online":{"date-parts":[[2007,11,7]]},"reference":[{"key":"ci700257yb00001\/ci700257yb00001_1","doi-asserted-by":"crossref","first-page":"1626","DOI":"10.1021\/ja01062a036","volume":"86","author":"Hansch C.","year":"1964","journal-title":"J. Am. Chem. Soc."},{"key":"ci700257yb00002\/ci700257yb00002_1","doi-asserted-by":"crossref","first-page":"5180","DOI":"10.1021\/ja01077a029","volume":"86","author":"Fujita T.","year":"1964","journal-title":"J. Am. Chem. Soc."},{"key":"ci700257yb00003\/ci700257yb00003_1","first-page":"616","volume":"71","author":"Leo A. J.","year":"1971","journal-title":"Chem. Rev."},{"key":"ci700257yb00004\/ci700257yb00004_1","volume-title":"Fundamentals and Applications in Chemistry and Biology","author":"Hansch C.","year":"1995"},{"key":"ci700257yb00005\/ci700257yb00005_1","first-page":"25","volume":"17","author":"Leo A. J.","year":"1999","journal-title":"Perspect. Drug Discovery Des."},{"key":"ci700257yb00006\/ci700257yb00006_1","doi-asserted-by":"crossref","first-page":"204","DOI":"10.1038\/nrd1032","volume":"2","author":"van de Waterbeemd H.","year":"2003","journal-title":"Nat. Rev. Drug Discovery"},{"key":"ci700257yb00007\/ci700257yb00007_1","first-page":"390","volume":"5","author":"Clark D. E.","year":"2002","journal-title":"Curr. Opin. Drug Discovery Dev."},{"key":"ci700257yb00008\/ci700257yb00008_1","first-page":"42","volume":"7","author":"Beresford A. P.","year":"2004","journal-title":"Curr. Opin. Drug Discovery Dev."},{"key":"ci700257yb00009\/ci700257yb00009_1","first-page":"386","volume":"8","author":"Davis A. M.","year":"2004","journal-title":"Curr. Opin. Chem. Biol."},{"key":"ci700257yb00010\/ci700257yb00010_1","doi-asserted-by":"crossref","first-page":"25","DOI":"10.1016\/S0169-409X(96)00423-1","volume":"23","author":"Lipinski C. A.","year":"1997","journal-title":"Adv. Drug Delivery Rev."},{"key":"ci700257yb00011\/ci700257yb00011_1","first-page":"1306","volume":"93","author":"Leo A. J","year":"1993","journal-title":"Chem. Rev."},{"key":"ci700257yb00012\/ci700257yb00012_1","doi-asserted-by":"crossref","first-page":"315","DOI":"10.1002\/9780470125885.ch5","volume-title":"Reviews in Computational Chemistry","volume":"11","author":"Carrupt P. A.","year":"1997"},{"key":"ci700257yb00013\/ci700257yb00013_1","doi-asserted-by":"crossref","first-page":"1829","DOI":"10.2174\/0929867023369042","volume":"9","author":"Eros D.","year":"2002","journal-title":"Curr. Med. Chem."},{"key":"ci700257yb00014\/ci700257yb00014_1","first-page":"1145","volume":"42","author":"Tetko I. V.","year":"2002","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci700257yb00015\/ci700257yb00015_1","doi-asserted-by":"crossref","first-page":"3110","DOI":"10.1002\/jps.20217","volume":"93","author":"Tetko I. V.","year":"2004","journal-title":"J. Pharm. Sci."},{"key":"ci700257yb00016\/ci700257yb00016_1","first-page":"178","volume":"19","author":"Chou J. T.","year":"1979","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci700257yb00017\/ci700257yb00017_1","doi-asserted-by":"crossref","first-page":"577","DOI":"10.1002\/jcc.540070419","volume":"7","author":"Ghose A. K.","year":"1986","journal-title":"J. Comput. Chem."},{"key":"ci700257yb00018\/ci700257yb00018_1","doi-asserted-by":"crossref","first-page":"172","DOI":"10.1021\/ci00063a006","volume":"29","author":"Viswanadhan V. N.","year":"1989","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci700257yb00019\/ci700257yb00019_1","doi-asserted-by":"crossref","first-page":"873","DOI":"10.1021\/ci990307l","volume":"39","author":"Wildman S. A.","year":"1999","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci700257yb00020\/ci700257yb00020_1","doi-asserted-by":"crossref","first-page":"116","DOI":"10.1023\/A:1008719622770","volume":"19","author":"Petrauskas A. A.","year":"2000","journal-title":"Perspect. Drug Discovery Des."},{"key":"ci700257yb00021\/ci700257yb00021_1","first-page":"520","volume":"23","author":"Walker M. J.","year":"2004","journal-title":"QSAR Comb. Sci."},{"key":"ci700257yb00022\/ci700257yb00022_1","doi-asserted-by":"crossref","first-page":"92","DOI":"10.1002\/jps.2600840120","volume":"84","author":"Meylan W. M.","year":"1995","journal-title":"J. Pharm. Sci."},{"key":"ci700257yb00023\/ci700257yb00023_1","doi-asserted-by":"crossref","first-page":"84","DOI":"10.1023\/A:1008715521862","volume":"19","author":"Meylan W. M.","year":"2000","journal-title":"Perspect. Drug Discovery Des."},{"key":"ci700257yb00024\/ci700257yb00024_1","first-page":"9","volume":"1","author":"Zhu H.","year":"2005","journal-title":"Curr. Comput.-Aided Drug Des."},{"key":"ci700257yb00025\/ci700257yb00025_1","first-page":"1603","volume":"46","author":"Sedykn A. Y.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ci700257yb00026\/ci700257yb00026_1","doi-asserted-by":"crossref","first-page":"98","DOI":"10.1023\/A:1008767505932","volume":"19","author":"Viswanadhan V. N.","year":"2000","journal-title":"Perspect. Drug Discovery Des."},{"key":"ci700257yb00027\/ci700257yb00027_1","doi-asserted-by":"crossref","first-page":"475","DOI":"10.1002\/qsar.200390036","volume":"22","author":"Mannhold R.","year":"2003","journal-title":"QSAR Comb. Sci."},{"key":"ci700257yb00028\/ci700257yb00028_1","first-page":"621","volume":"37","author":"Wang R.","year":"1997","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci700257yb00029\/ci700257yb00029_1","doi-asserted-by":"crossref","first-page":"66","DOI":"10.1023\/A:1008763405023","volume":"19","author":"Wang R.","year":"2000","journal-title":"Perspect. Drug Discovery Des."},{"key":"ci700257yb00030\/ci700257yb00030_1","doi-asserted-by":"crossref","first-page":"3772","DOI":"10.1021\/jp980230o","volume":"102","author":"Ghose A. K.","year":"1998","journal-title":"J. Phys. Chem. A"},{"key":"ci700257yb00031\/ci700257yb00031_1","volume-title":"Concepts and Applications of Molecular Similarity","author":"Johnson M. A.","year":"1990"},{"key":"ci700257yb00032\/ci700257yb00032_1","unstructured":"Hansch, C.; Leo, A.; Hoekman, D.Exploring QSAR, HydrophobicElectronic and Steric Constants; American Chemical Society:\u2009 Washington, DC, 1995; Vol. 2, pp 3\u2212193."},{"key":"ci700257yb00034\/ci700257yb00034_1","doi-asserted-by":"crossref","first-page":"D672","DOI":"10.1093\/nar\/gkj067","volume":"34","author":"Wishart D. S.","year":"2006","journal-title":"Nucleic Acids Res."},{"key":"ci700257yb00035\/ci700257yb00035_1","doi-asserted-by":"crossref","first-page":"85","DOI":"10.1021\/ci00054a008","volume":"27","author":"Nilakantan R.","year":"1987","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci700257yb00036\/ci700257yb00036_1","doi-asserted-by":"crossref","first-page":"996","DOI":"10.1021\/ci9800211","volume":"38","author":"Willett P.","year":"1998","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci700257yb00037\/ci700257yb00037_1","first-page":"195","volume":"5","author":"Tao P.","year":"1999","journal-title":"J. Mol. Model."},{"key":"ci700257yb00038\/ci700257yb00038_1","doi-asserted-by":"crossref","first-page":"552","DOI":"10.1007\/BF00135313","volume":"5","author":"Kellogg G. E.","year":"1991","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ci700257yb00039\/ci700257yb00039_1","doi-asserted-by":"crossref","first-page":"1134","DOI":"10.1021\/ci960028n","volume":"36","author":"Gombar V. K.","year":"1996","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci700257yb00040\/ci700257yb00040_1","unstructured":"Physical\/Chemical Property Database (PHYSPROP); SRC Environmental Science Center:\u2009 Syracuse, NY, 1994."},{"key":"ci700257yb00041\/ci700257yb00041_1","doi-asserted-by":"crossref","first-page":"785","DOI":"10.1021\/ci049628+","volume":"45","author":"Itskowitz P.","year":"2005","journal-title":"J. Chem. Inf. Model."},{"key":"ci700257yb00042\/ci700257yb00042_1","first-page":"31","volume":"46","author":"Ajmani S.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ci700257yb00043\/ci700257yb00043_1","doi-asserted-by":"crossref","first-page":"641","DOI":"10.1021\/ci0503762","volume":"46","author":"K\u00fchne R.","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\/ci700257y","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,2,18]],"date-time":"2024-02-18T22:08:09Z","timestamp":1708294089000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci700257y"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2007,11,1]]},"references-count":42,"journal-issue":{"issue":"6","published-print":{"date-parts":[[2007,11,1]]}},"alternative-id":["10.1021\/ci700257y"],"URL":"https:\/\/doi.org\/10.1021\/ci700257y","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2007,11,1]]}}}