{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,13]],"date-time":"2026-02-13T10:41:19Z","timestamp":1770979279635,"version":"3.50.1"},"reference-count":32,"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":[[2001,3,1]]},"DOI":"10.1021\/ci000303c","type":"journal-article","created":{"date-parts":[[2002,7,26]],"date-time":"2002-07-26T04:58:10Z","timestamp":1027659490000},"page":"387-393","source":"Crossref","is-referenced-by-count":30,"title":["Getting Discriminant Functions of Antibacterial Activity from Physicochemical and Topological Parameters"],"prefix":"10.1021","volume":"41","author":[{"given":"Rama K.","family":"Mishra","sequence":"first","affiliation":[{"name":"Department of Chemistry, Sambalpur University, Jyoti-Vihar-768 019 India"}]},{"given":"R.","family":"Garcia-Domenech","sequence":"additional","affiliation":[{"name":"Drug Design & Molecular Connectivity Research Unit, Department of Physical Chemistry, Faculty of Pharmacy, University of Valencia, Avenida V.A. Estell\u00e9s s.n. 46100-Burjasot, Valencia, Spain"}]},{"given":"J.","family":"Galvez","sequence":"additional","affiliation":[{"name":"Drug Design & Molecular Connectivity Research Unit, Department of Physical Chemistry, Faculty of Pharmacy, University of Valencia, Avenida V.A. Estell\u00e9s s.n. 46100-Burjasot, Valencia, Spain"}]}],"member":"316","published-online":{"date-parts":[[2001,2,20]]},"reference":[{"key":"ci000303cb00001\/ci000303cb00001_1","unstructured":"Siebel, G. L.; Kollman, P. A.Comprehensive Medicinal Chemistry (Vol. IV):Quantitative drug design; Hansch, C., Sammes, P. G., Taylor, J. B., Ramdsen, C. A., Eds.; Pergamon:\u2009 1990; pp 125\u2212138."},{"key":"ci000303cb00002\/ci000303cb00002_1","doi-asserted-by":"crossref","unstructured":"Weinstein, H.; Osman, R.; Green, J. P.Computer-assisted drug design; Olson, E. C., Cristoffersen, R. E., Eds.; ACS Symposium Series; American Chemical Society:\u2009 Washington, DC, 1979; pp 161\u2212170.","DOI":"10.1021\/bk-1979-0112.ch007"},{"key":"ci000303cb00003\/ci000303cb00003_1","volume-title":"New York","author":"Johnson M. A.","year":"1990"},{"key":"ci000303cb00004\/ci000303cb00004_1","doi-asserted-by":"crossref","unstructured":"Hall, L. H.; Kier, L. B.Reviews in computational chemistry; Kipkowitz, K. B., Boyd, D. B., Eds.; VCH: 1991; Vol. I, pp 367\u2212422.","DOI":"10.1002\/9780470125793.ch9"},{"key":"ci000303cb00005\/ci000303cb00005_1","unstructured":"Basak, S. C.; Grunwald, G. D.; Niemi, G. I.Chemical topology tothree-dimensional geometry; Balaban, A. T., Eds.; Plenum Press:\u2009 New York, 1997; pp 73\u2212116."},{"key":"ci000303cb00006\/ci000303cb00006_1","first-page":"284","volume":"35","author":"Galvez J.","year":"1995","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci000303cb00007\/ci000303cb00007_1","doi-asserted-by":"crossref","first-page":"595","DOI":"10.1023\/A:1008048003720","volume":"12","author":"Estrada E.","year":"1998","journal-title":"J. Comput. Aid. Mol. Des."},{"key":"ci000303cb00008\/ci000303cb00008_1","doi-asserted-by":"crossref","first-page":"5959","DOI":"10.1021\/ja00226a005","volume":"110","author":"Cramer III, R. D.","year":"1988","journal-title":"J. Am. Chem. Soc."},{"key":"ci000303cb00009\/ci000303cb00009_1","first-page":"143","volume":"39","author":"Ren B","year":"1999","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci000303cb00010\/ci000303cb00010_1","doi-asserted-by":"crossref","first-page":"276","DOI":"10.1016\/S0263-7855(96)00081-1","volume":"14","author":"Galvez J.","year":"1996","journal-title":"J. Mol. Graphics"},{"key":"ci000303cb00011\/ci000303cb00011_1","first-page":"3314","volume":"42","author":"Julian-Ortiz J. V.","year":"1999","journal-title":"J. Med. Chem."},{"key":"ci000303cb00012\/ci000303cb00012_1","doi-asserted-by":"crossref","first-page":"117","DOI":"10.1211\/0022357991772204","volume":"51","author":"Gozalbes R.","year":"1999","journal-title":"J. Pharm. Pharmacol."},{"key":"ci000303cb00013\/ci000303cb00013_1","doi-asserted-by":"crossref","first-page":"482","DOI":"10.1016\/S0960-894X(98)00056-0","volume":"8","author":"Rios-Santamarina I.","year":"1998","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ci000303cb00014\/ci000303cb00014_1","doi-asserted-by":"crossref","first-page":"1185","DOI":"10.1051\/jcp:1999205","volume":"96","author":"Garcia-Domenech R.","year":"1999","journal-title":"J. Chim. Phys."},{"key":"ci000303cb00015\/ci000303cb00015_1","first-page":"9142","volume":"54","author":"Ovidiu I.","year":"1998","journal-title":"Tetrahedron"},{"key":"ci000303cb00016\/ci000303cb00016_1","doi-asserted-by":"crossref","first-page":"196","DOI":"10.1021\/ci980058l","volume":"39","author":"Hosoya H.","year":"1999","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci000303cb00017\/ci000303cb00017_1","first-page":"168","volume":"39","author":"Gao H.","year":"1999","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci000303cb00018\/ci000303cb00018_1","doi-asserted-by":"crossref","first-page":"561","DOI":"10.1023\/A:1008048822117","volume":"12","author":"De Gregorio C.","year":"1998","journal-title":"J. Comput. Aid. Mol. Des."},{"key":"ci000303cb00019\/ci000303cb00019_1","doi-asserted-by":"crossref","first-page":"60","DOI":"10.1080\/10629369908039165","volume":"10","author":"Gozalbes R.","year":"1999","journal-title":"SAR QSAR Environ. Res."},{"key":"ci000303cb00020\/ci000303cb00020_1","doi-asserted-by":"crossref","first-page":"264","DOI":"10.1016\/S0166-1280(97)00366-7","volume":"429","author":"Galvez J","year":"1998","journal-title":"J. Mol. Struct. (Theochem)"},{"key":"ci000303cb00021\/ci000303cb00021_1","author":"G\u00e1lvez J.","journal-title":"J. Comput. Aid. Mol. Des. (in press)."},{"key":"ci000303cb00022\/ci000303cb00022_1","first-page":"1173","volume":"72","author":"Kier L. B.","year":"1983","journal-title":"J. Pharm. Sci."},{"key":"ci000303cb00023\/ci000303cb00023_1","unstructured":"Kier, L. B.; Hall, L. H.Molecular Connectivity in Structure\u2212Activity Analysis; Research Studies Press: Letchworth, England, 1986; pp 225\u2212246."},{"key":"ci000303cb00024\/ci000303cb00024_1","first-page":"525","volume":"34","author":"Galvez J.","year":"1994","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci000303cb00025\/ci000303cb00025_1","doi-asserted-by":"crossref","first-page":"344","DOI":"10.1007\/BF03259751","volume":"3","author":"Garc\u00eda R.","year":"1991","journal-title":"Drug Invest."},{"key":"ci000303cb00026\/ci000303cb00026_1","volume-title":"12\u00d7bb ed","author":"The Merck Index","year":"1996"},{"key":"ci000303cb00027\/ci000303cb00027_1","unstructured":"Stewart, J. J. P.MOPAC97 Manual; Fujitsu Limited:\u2009 1997."},{"key":"ci000303cb00028\/ci000303cb00028_1","doi-asserted-by":"crossref","first-page":"415","DOI":"10.1016\/0166-1280(88)80403-2","volume":"163","author":"Thiel W. J","year":"1988","journal-title":"J. Mol. Struct. (Theochem)"},{"key":"ci000303cb00029\/ci000303cb00029_1","doi-asserted-by":"crossref","first-page":"487","DOI":"10.1002\/jcc.540120409","volume":"12","author":"Karna S. P.","year":"1991","journal-title":"J. Comput. Chem."},{"key":"ci000303cb00030\/ci000303cb00030_1","volume-title":"BMDP Statistical software","author":"Dixon W. J.","year":"1990"},{"key":"ci000303cb00031\/ci000303cb00031_1","doi-asserted-by":"crossref","first-page":"408","DOI":"10.1080\/00401706.1971.10488794","volume":"13","author":"Furnival G. M","year":"1971","journal-title":"Technometrics"},{"issue":"4","key":"ci000303cb00032\/ci000303cb00032_1","doi-asserted-by":"crossref","first-page":"970","DOI":"10.1080\/00401706.1972.10488992","volume":"14","author":"Hocking R. R","year":"1972","journal-title":"Technometrics"}],"container-title":["Journal of Chemical Information and Computer Sciences"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci000303c","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,12,7]],"date-time":"2024-12-07T01:55:25Z","timestamp":1733536525000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci000303c"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2001,2,20]]},"references-count":32,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2001,3,1]]}},"alternative-id":["10.1021\/ci000303c"],"URL":"https:\/\/doi.org\/10.1021\/ci000303c","relation":{},"ISSN":["0095-2338"],"issn-type":[{"value":"0095-2338","type":"print"}],"subject":[],"published":{"date-parts":[[2001,2,20]]}}}