{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,16]],"date-time":"2026-10-16T15:05:06Z","timestamp":1792163106023,"version":"4.4.0"},"reference-count":40,"publisher":"American Chemical Society (ACS)","issue":"2","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Comput. Sci."],"published-print":{"date-parts":[[2003,3,1]]},"DOI":"10.1021\/ci025597b","type":"journal-article","created":{"date-parts":[[2003,3,24]],"date-time":"2003-03-24T14:54:26Z","timestamp":1048517666000},"page":"545-553","source":"Crossref","is-referenced-by-count":18,"title":["Quantum-Mechanical QSAR\/QSPR Descriptors from Momentum-Space Wave Functions"],"prefix":"10.1021","volume":"43","author":[{"given":"Errol F.","family":"McCoy","sequence":"first","affiliation":[{"name":"School of Chemistry, Physics and Earth Sciences, Flinders University, GPO Box 2100, Adelaide, SA, Australia 5001"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Matthew J.","family":"Sykes","sequence":"additional","affiliation":[{"name":"School of Chemistry, Physics and Earth Sciences, Flinders University, GPO Box 2100, Adelaide, SA, Australia 5001"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2003,1,10]]},"reference":[{"key":"ci025597bb00001\/ci025597bb00001_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":"ci025597bb00002\/ci025597bb00002_1","doi-asserted-by":"crossref","first-page":"1807","DOI":"10.1021\/ac00083a005","volume":"66","author":"Katritzky A. R.","year":"1994","journal-title":"Anal. Chem."},{"key":"ci025597bb00003\/ci025597bb00003_1","doi-asserted-by":"crossref","first-page":"246","DOI":"10.1007\/BF02311772","volume":"23","author":"Abraham M. H.","year":"1987","journal-title":"Chromatographia"},{"key":"ci025597bb00004\/ci025597bb00004_1","doi-asserted-by":"crossref","first-page":"20","DOI":"10.1021\/ja01193a006","volume":"69","author":"Wiener H","year":"1947","journal-title":"J. Am. Chem. Soc."},{"key":"ci025597bb00005\/ci025597bb00005_1","first-page":"1301","volume":"1293","author":"Cronce D. T.","year":"1998","journal-title":"J. Chem. Soc., Perkin Trans. 2"},{"key":"ci025597bb00006\/ci025597bb00006_1","first-page":"803","volume":"797","author":"Abraham M. H.","year":"1987","journal-title":"J. Chem. Soc., Perkin Trans. 2"},{"key":"ci025597bb00007\/ci025597bb00007_1","first-page":"1851","volume":"1843","author":"Abraham M. H.","year":"1995","journal-title":"J. Chem. Soc., Perkin Trans. 2"},{"key":"ci025597bb00008\/ci025597bb00008_1","doi-asserted-by":"crossref","first-page":"1216","DOI":"10.1111\/j.2042-7158.1997.tb06072.x","volume":"49","author":"Gratton J. A.","year":"1997","journal-title":"J. Pharm. Pharmacol."},{"key":"ci025597bb00009\/ci025597bb00009_1","doi-asserted-by":"crossref","first-page":"12616","DOI":"10.1021\/ja00079a063","volume":"115","author":"Cooper D. L.","year":"1993","journal-title":"J. Am. Chem. Soc."},{"key":"ci025597bb00010\/ci025597bb00010_1","doi-asserted-by":"crossref","unstructured":"Cooper, D. L.; Allan, N. L.Molecular similarity and reactivity:\u2009 from quantumchemical to phenomenological approaches; Kluwer:\u2009 1995; pp 31\u221255.","DOI":"10.1007\/978-94-015-8488-3_2"},{"key":"ci025597bb00011\/ci025597bb00011_1","doi-asserted-by":"crossref","first-page":"340","DOI":"10.1007\/BF00125174","volume":"9","author":"Measures P. T.","year":"1995","journal-title":"J. Comput.-Aided. Mol. Des."},{"key":"ci025597bb00012\/ci025597bb00012_1","doi-asserted-by":"crossref","first-page":"712","DOI":"10.1016\/S0009-2614(99)01132-X","volume":"313","author":"McCoy E. F.","year":"1999","journal-title":"Chem. Phys. Lett."},{"key":"ci025597bb00013\/ci025597bb00013_1","volume-title":"et al. Gaussian 94 (Revision D.4)","author":"Frisch M. J.","year":"1995"},{"key":"ci025597bb00014\/ci025597bb00014_1","doi-asserted-by":"crossref","DOI":"10.1063\/1.3128283","volume-title":"Fourier transforms and their physical applications","author":"Champeney D. C.","year":"1973"},{"key":"ci025597bb00015\/ci025597bb00015_1","volume-title":"Numerical recipes in FORTRAN:\u2009 the art of scientific computing","author":"Press W. H","year":"1992","edition":"2"},{"key":"ci025597bb00016\/ci025597bb00016_1","volume-title":"Ab Initio Molecular Orbital Theory","author":"Hehre W. J.","year":"1986"},{"key":"ci025597bb00017\/ci025597bb00017_1","doi-asserted-by":"crossref","first-page":"3420","DOI":"10.1021\/ja9826892","volume":"121","author":"Stowasser R.","year":"1999","journal-title":"J. Am. Chem. Soc."},{"key":"ci025597bb00018\/ci025597bb00018_1","volume-title":"personal communication","author":"Cooper D. L.","year":"2000"},{"key":"ci025597bb00019\/ci025597bb00019_1","doi-asserted-by":"crossref","first-page":"4728","DOI":"10.1103\/PhysRevA.50.4707","volume":"50","author":"Duffy P.","year":"1994","journal-title":"Phys. Rev. A"},{"key":"ci025597bb00020\/ci025597bb00020_1","doi-asserted-by":"crossref","first-page":"371","DOI":"10.1016\/0370-1573(76)90005-3","volume":"27","author":"McCarthy I. E.","year":"1976","journal-title":"Phys. Rep."},{"key":"ci025597bb00021\/ci025597bb00021_1","doi-asserted-by":"crossref","first-page":"2904","DOI":"10.1021\/ja963058f","volume":"119","author":"Adcock W.","year":"1997","journal-title":"J. Am. Chem. Soc."},{"key":"ci025597bb00022\/ci025597bb00022_1","first-page":"915","volume":"77","author":"Rhee C. H.","year":"1982","journal-title":"J. Chem. Phys."},{"key":"ci025597bb00023\/ci025597bb00023_1","doi-asserted-by":"crossref","first-page":"2416","DOI":"10.1016\/0006-2952(85)90519-2","volume":"34","author":"Mellors A.","year":"1985","journal-title":"Biochem. Pharmac."},{"key":"ci025597bb00024\/ci025597bb00024_1","first-page":"11195","volume":"103","author":"Martin M. G.","year":"1999","journal-title":"J. Phys. Chem. B"},{"key":"ci025597bb00025\/ci025597bb00025_1","doi-asserted-by":"crossref","first-page":"2187","DOI":"10.1021\/ac00237a009","volume":"53","author":"Whalen-Pedersen E. K.","year":"1981","journal-title":"Anal. Chem."},{"key":"ci025597bb00026\/ci025597bb00026_1","doi-asserted-by":"crossref","first-page":"1332","DOI":"10.1021\/ac00188a007","volume":"61","author":"Stanton D. T.","year":"1989","journal-title":"Anal. Chem."},{"key":"ci025597bb00027\/ci025597bb00027_1","first-page":"2024","volume":"63","author":"Georgakopoulos C. G.","year":"1991","journal-title":"Anal. Chem."},{"key":"ci025597bb00028\/ci025597bb00028_1","doi-asserted-by":"crossref","first-page":"2028","DOI":"10.1021\/ac00018a025","volume":"63","author":"Georgakopoulos C. G.","year":"1991","journal-title":"Anal. Chem."},{"key":"ci025597bb00029\/ci025597bb00029_1","first-page":"621","volume":"39","author":"Lucic B.","year":"1999","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci025597bb00030\/ci025597bb00030_1","doi-asserted-by":"crossref","first-page":"118","DOI":"10.1007\/BF01834479","volume":"42","author":"Meyer H","year":"1899","journal-title":"Arch. Exp. Pathol. Pharmakol."},{"key":"ci025597bb00031\/ci025597bb00031_1","volume-title":"Studien uber die Narkose Zugleich ein Beitrag zur Allgemeine Pharmakologie. Jens","author":"Overton E.","year":"1901"},{"key":"ci025597bb00032\/ci025597bb00032_1","first-page":"3786","volume":"111","author":"Bodor N.","year":"1989","journal-title":"J. Am. Chem. Soc."},{"key":"ci025597bb00033\/ci025597bb00033_1","first-page":"527","volume":"523","author":"Abraham M. H.","year":"1988","journal-title":"J. Chem. Soc., Perkin Trans. 2"},{"key":"ci025597bb00034\/ci025597bb00034_1","first-page":"300","volume":"291","author":"Abraham M. H.","year":"1990","journal-title":"J. Chem. Soc., Perkin Trans. 2"},{"key":"ci025597bb00035\/ci025597bb00035_1","doi-asserted-by":"crossref","first-page":"300","DOI":"10.1016\/S0301-0104(96)00157-7","volume":"212","author":"Zheng Y.","year":"1996","journal-title":"Chem. Phys."},{"key":"ci025597bb00036\/ci025597bb00036_1","doi-asserted-by":"crossref","first-page":"29","DOI":"10.1021\/cr00025a001","volume":"94","author":"Shelton D. P.","year":"1994","journal-title":"Chem. Rev."},{"key":"ci025597bb00037\/ci025597bb00037_1","first-page":"444","volume":"179","author":"Lu Y.-J.","year":"1994","journal-title":"Chem. Phys."},{"key":"ci025597bb00038\/ci025597bb00038_1","doi-asserted-by":"crossref","first-page":"5448","DOI":"10.1063\/1.475932","volume":"108","author":"Maroulis G","year":"1998","journal-title":"J. Chem. Phys."},{"key":"ci025597bb00039\/ci025597bb00039_1","doi-asserted-by":"crossref","first-page":"614","DOI":"10.1038\/367607a0","volume":"367","author":"Franks N. P.","year":"1994","journal-title":"Nature"},{"key":"ci025597bb00040\/ci025597bb00040_1","doi-asserted-by":"crossref","first-page":"791","DOI":"10.1021\/jp961513o","volume":"101","author":"Chipot C.","year":"1997","journal-title":"J. Phys. Chem. B"}],"container-title":["Journal of Chemical Information and Computer Sciences"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci025597b","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,12,12]],"date-time":"2024-12-12T02:10:41Z","timestamp":1733969441000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci025597b"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2003,1,10]]},"references-count":40,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2003,3,1]]}},"alternative-id":["10.1021\/ci025597b"],"URL":"https:\/\/doi.org\/10.1021\/ci025597b","relation":{},"ISSN":["0095-2338","1520-5142"],"issn-type":[{"value":"0095-2338","type":"print"},{"value":"1520-5142","type":"electronic"}],"subject":[],"published":{"date-parts":[[2003,1,10]]}}}