{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,6]],"date-time":"2026-03-06T11:15:10Z","timestamp":1772795710199,"version":"3.50.1"},"reference-count":54,"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":[[1997,3,1]]},"DOI":"10.1021\/ci960113v","type":"journal-article","created":{"date-parts":[[2002,7,26]],"date-time":"2002-07-26T05:10:41Z","timestamp":1027660241000},"page":"320-328","source":"Crossref","is-referenced-by-count":135,"title":["Spectral Moments of the Edge-Adjacency Matrix of Molecular Graphs. 2. Molecules Containing Heteroatoms and QSAR Applications"],"prefix":"10.1021","volume":"37","author":[{"given":"Ernesto","family":"Estrada","sequence":"first","affiliation":[{"name":"Departamento de Dise\u00f1o de F\u00e1rmacos, Centro de Bioactivos Qu\u00edmicos, Universidad Central de Las Villas, Santa Clara 54830, Villa Clara, Cuba"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[1997,3,24]]},"reference":[{"key":"ci960113vb00001\/ci960113vb00001_1","volume-title":"Taking a Short Cut to Drug Design. New Scientist","author":"Rouvray D.","year":"1993"},{"key":"ci960113vb00002\/ci960113vb00002_1","doi-asserted-by":"crossref","first-page":"343","DOI":"10.1021\/ci00047a033","volume":"25","author":"Balaban A. T","year":"1985","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci960113vb00003\/ci960113vb00003_1","doi-asserted-by":"crossref","first-page":"580","DOI":"10.1021\/ed065p580","volume":"65","author":"Hansen P. J.","year":"1988","journal-title":"J. Chem. Educ."},{"key":"ci960113vb00004\/ci960113vb00004_1","doi-asserted-by":"crossref","first-page":"712","DOI":"10.1021\/ed069p701","volume":"69","author":"Mihalic Z.","year":"1992","journal-title":"J. Chem. Educ."},{"key":"ci960113vb00005\/ci960113vb00005_1","first-page":"214","volume":"31","author":"Sabljic A.","year":"1981","journal-title":"Acta Pharm. Jugosl."},{"key":"ci960113vb00006\/ci960113vb00006_1","volume-title":"Selective Toxicity: The Physico-chemical Basis of Therapy","author":"Albert A.","year":"1984"},{"key":"ci960113vb00007\/ci960113vb00007_1","volume-title":"Spectra of Graphs","author":"Cvetkovic D. M.","year":"1982"},{"key":"ci960113vb00008\/ci960113vb00008_1","first-page":"64","volume":"7","author":"Randi\u0107 M","year":"1979","journal-title":"MATCH"},{"key":"ci960113vb00009\/ci960113vb00009_1","doi-asserted-by":"crossref","first-page":"13","DOI":"10.1016\/0097-8485(79)80002-9","volume":"3","author":"Randi\u0107 M.","year":"1979","journal-title":"Comput. Chem."},{"key":"ci960113vb00010\/ci960113vb00010_1","doi-asserted-by":"crossref","first-page":"399","DOI":"10.1002\/jcc.540010410","volume":"1","author":"Randi\u0107 M","year":"1980","journal-title":"J. Comput. Chem."},{"key":"ci960113vb00011\/ci960113vb00011_1","first-page":"432","volume":"59","author":"Barysz M.","year":"1985","journal-title":"Polish J. Chem."},{"key":"ci960113vb00012\/ci960113vb00012_1","doi-asserted-by":"crossref","first-page":"69","DOI":"10.1021\/ci00005a011","volume":"32","author":"Randi\u0107 M","year":"1992","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci960113vb00013\/ci960113vb00013_1","first-page":"849","volume":"36","author":"Estrada E","year":"1996","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci960113vb00014\/ci960113vb00014_1","doi-asserted-by":"crossref","first-page":"217","DOI":"10.1016\/0169-7439(91)80051-Q","volume":"10","author":"Randi\u0107 M","year":"1991","journal-title":"Chemom. Intell. Lab. Syst."},{"key":"ci960113vb00015\/ci960113vb00015_1","volume-title":"Molecular Connectivity in Chemistry and Drug Research","author":"Kier L. B.","year":"1976"},{"key":"ci960113vb00016\/ci960113vb00016_1","doi-asserted-by":"crossref","first-page":"103","DOI":"10.1002\/qsar.19890080204","volume":"8","author":"Kupchik E. J","year":"1989","journal-title":"Quant. Struct.-Act. Relat."},{"key":"ci960113vb00017\/ci960113vb00017_1","doi-asserted-by":"crossref","first-page":"373","DOI":"10.1007\/BF00999824","volume":"2","author":"Estrada E.","year":"1993","journal-title":"Mol. Eng."},{"key":"ci960113vb00018\/ci960113vb00018_1","first-page":"845","volume":"36","author":"Estrada E.","year":"1996","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci960113vb00019\/ci960113vb00019_1","first-page":"713","volume":"35","author":"Estrada","year":"1995","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci960113vb00020\/ci960113vb00020_1","volume-title":"Int. J. Quantum Chem.: Quantum Biol. Symp.","author":"Grossman S. C.","year":"1986"},{"key":"ci960113vb00021\/ci960113vb00021_1","first-page":"707","volume":"35","author":"Estrada E","year":"1995","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci960113vb00022\/ci960113vb00022_1","first-page":"33","volume":"35","author":"Estrada E","year":"1995","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci960113vb00023\/ci960113vb00023_1","first-page":"181","volume-title":"Chemical Applications of Graph Theory","author":"Rouvray D.","year":"1976"},{"key":"ci960113vb00024\/ci960113vb00024_1","first-page":"543","volume":"36","author":"Gutman I.","year":"1996","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci960113vb00025\/ci960113vb00025_1","doi-asserted-by":"crossref","first-page":"192","DOI":"10.1007\/BF00549668","volume":"66","author":"Jiang Y.","year":"1984","journal-title":"Theoret. Chim. Acta"},{"key":"ci960113vb00026\/ci960113vb00026_1","volume-title":"Molecular Mechanics","author":"Burkert U.","year":"1982"},{"key":"ci960113vb00027\/ci960113vb00027_1","doi-asserted-by":"crossref","DOI":"10.1002\/9780470125809.ch1","volume-title":"Reviews in Computational Chemistry","volume":"3","author":"Schlick T.","year":"1992"},{"key":"ci960113vb00028\/ci960113vb00028_1","volume-title":"Montero","author":"Potapov V. M.","year":"1991"},{"key":"ci960113vb00029\/ci960113vb00029_1","doi-asserted-by":"crossref","first-page":"168","DOI":"10.1007\/BF01200821","volume":"7","author":"Randi\u0107 M","year":"1991","journal-title":"J. Math. Chem."},{"key":"ci960113vb00030\/ci960113vb00030_1","doi-asserted-by":"crossref","DOI":"10.1002\/0471725153","volume-title":"Regression Diagnostics","author":"Belsey D. A.","year":"1980"},{"key":"ci960113vb00031\/ci960113vb00031_1","first-page":"54","volume":"64","author":"Randi\u0107 M","year":"1991","journal-title":"Croat. Chem. Acta"},{"key":"ci960113vb00032\/ci960113vb00032_1","first-page":"1291","volume":"38","author":"Smolenskii E. A","year":"1964","journal-title":"Zh. Fiz. Khim."},{"key":"ci960113vb00033\/ci960113vb00033_1","volume-title":"D. J. Chemical Graph-Theoretic Cluster Expansions. Int. J. Quantum Chem.: Quantum Chem. Symp. 1986","author":"Klein","year":"1989"},{"key":"ci960113vb00034\/ci960113vb00034_1","doi-asserted-by":"crossref","first-page":"4194","DOI":"10.1021\/ja00221a015","volume":"110","author":"Needham D. E.","year":"1988","journal-title":"J. Am. Chem. Soc."},{"key":"ci960113vb00035\/ci960113vb00035_1","doi-asserted-by":"crossref","DOI":"10.1515\/9783112706992","volume-title":"Theoretical Drug Design Methods","author":"Franke R.","year":"1984"},{"key":"ci960113vb00036\/ci960113vb00036_1","doi-asserted-by":"crossref","first-page":"239","DOI":"10.1021\/ar50020a002","volume":"2","author":"Hansch C","year":"1969","journal-title":"Acc. Chem. Res."},{"key":"ci960113vb00038\/ci960113vb00038_1","volume-title":"Computer Assisted Studies of Chemical Structure and Biological Function","author":"Stuper A. J.","year":"1979"},{"key":"ci960113vb00039\/ci960113vb00039_1","first-page":"5967","volume":"110","author":"Cramer III, R. D.","year":"1988","journal-title":"J. Am. Chem. Soc."},{"key":"ci960113vb00040\/ci960113vb00040_1","doi-asserted-by":"crossref","DOI":"10.1007\/978-3-642-87536-6","volume-title":"Molecular Orbital Studies in Chemical Pharmacology","author":"Kier L. B.","year":"1970"},{"key":"ci960113vb00041\/ci960113vb00041_1","volume-title":"Int. J. Quantum Chem.: Quantum Biol. Symp.","author":"Randi\u0107 M.","year":"1984"},{"key":"ci960113vb00042\/ci960113vb00042_1","volume-title":"Molecular Connectivity in Structure\u2212Activity Analysis","author":"Kier L. B.","year":"1986"},{"key":"ci960113vb00043\/ci960113vb00043_1","first-page":"279","volume":"36","author":"Trinajsti\u0107 N.","year":"1986","journal-title":"Acta Pharm. Jugosl."},{"key":"ci960113vb00044\/ci960113vb00044_1","doi-asserted-by":"crossref","first-page":"159T","DOI":"10.1111\/j.2042-7158.1958.tb10394.x","volume":"10","author":"Carter D. V.","year":"1958","journal-title":"J. Pharm. Pharmacol."},{"key":"ci960113vb00045\/ci960113vb00045_1","first-page":"1039","volume":"69","author":"Kier L. B","year":"1980","journal-title":"J. Pharm. Sci."},{"key":"ci960113vb00046\/ci960113vb00046_1","first-page":"165","volume-title":"T.","year":"1964"},{"key":"ci960113vb00047\/ci960113vb00047_1","volume-title":"QSAR: Hansch Analysis and Related Approaches (Methods and Principles in Medicinal Chemistry","author":"Kubinyi H.","year":"1993"},{"key":"ci960113vb00048\/ci960113vb00048_1","volume-title":"On Some Solved and Unsolved Problems of Chemical Graph Theory. Int. J. Quantum Chem.: Quantum Chem. Symp.","author":"Trinajsti\u0107 N.","year":"1986"},{"key":"ci960113vb00049\/ci960113vb00049_1","first-page":"2150","volume":"89","author":"Dewar M. J. S","year":"1985","journal-title":"J. Phys. Chem."},{"key":"ci960113vb00050\/ci960113vb00050_1","doi-asserted-by":"crossref","first-page":"682","DOI":"10.1021\/ja00315a037","volume":"106","author":"Dewar M. J. S","year":"1984","journal-title":"J. Am. Chem. Soc."},{"key":"ci960113vb00051\/ci960113vb00051_1","doi-asserted-by":"crossref","first-page":"631","DOI":"10.1021\/ja00055a035","volume":"115","author":"Laurencelle N.","year":"1993","journal-title":"J. Am. Chem. Soc."},{"key":"ci960113vb00052\/ci960113vb00052_1","first-page":"313","volume":"43","author":"Bykov G. V","year":"1969","journal-title":"Russ. J. Phys. Chem."},{"key":"ci960113vb00053\/ci960113vb00053_1","volume-title":"The Nature of the Chemical Bond","author":"Pauling L.","year":"1960"},{"key":"ci960113vb00054\/ci960113vb00054_1","first-page":"807","volume":"7","author":"Kier L. B.","year":"1990","journal-title":"Pharm. Res."},{"key":"ci960113vb00055\/ci960113vb00055_1","unstructured":"Feguson, L. N.The Modern Structural Theory of Organic Chemistry; Prentice-Hall:\u2009 NJ, 1963; pp 53\u221255."}],"container-title":["Journal of Chemical Information and Computer Sciences"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci960113v","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,12,7]],"date-time":"2024-12-07T03:13:45Z","timestamp":1733541225000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci960113v"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1997,3,1]]},"references-count":54,"journal-issue":{"issue":"2","published-print":{"date-parts":[[1997,3,1]]}},"alternative-id":["10.1021\/ci960113v"],"URL":"https:\/\/doi.org\/10.1021\/ci960113v","relation":{},"ISSN":["0095-2338","1520-5142"],"issn-type":[{"value":"0095-2338","type":"print"},{"value":"1520-5142","type":"electronic"}],"subject":[],"published":{"date-parts":[[1997,3,1]]}}}