{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,12,15]],"date-time":"2025-12-15T13:44:58Z","timestamp":1765806298025},"reference-count":53,"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":[[1999,3,22]]},"DOI":"10.1021\/ci980070d","type":"journal-article","created":{"date-parts":[[2002,7,26]],"date-time":"2002-07-26T05:38:39Z","timestamp":1027661919000},"page":"236-242","source":"Crossref","is-referenced-by-count":56,"title":["New QSAR Methods Applied to Structure\u2212Activity Mapping and Combinatorial Chemistry"],"prefix":"10.1021","volume":"39","author":[{"given":"Frank R.","family":"Burden","sequence":"first","affiliation":[{"name":"Department of Chemistry, Monash University, Clayton 3168, Australia, and CSIRO Division of Molecular Science, Private Bag 10, Clayton South MDC, Clayton 3169, Australia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"David A.","family":"Winkler","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Monash University, Clayton 3168, Australia, and CSIRO Division of Molecular Science, Private Bag 10, Clayton South MDC, Clayton 3169, Australia"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[1998,10,13]]},"reference":[{"key":"ci980070db00001\/ci980070db00001_1","unstructured":"Rouvray, D. H.New Scientist1993a, May 29, 35\u221238."},{"key":"ci980070db00002\/ci980070db00002_1","doi-asserted-by":"crossref","first-page":"1616","DOI":"10.1021\/ja01062a035","volume":"86","author":"Hansch C.","year":"1964","journal-title":"J. Am. Chem. Soc."},{"key":"ci980070db00003\/ci980070db00003_1","volume-title":"Molecular Connectivity in Structure\u2212Activity Analysis","author":"Kier L. B.","year":"1986"},{"key":"ci980070db00004\/ci980070db00004_1","doi-asserted-by":"crossref","first-page":"6609","DOI":"10.1021\/ja00856a001","volume":"97","author":"Randi\u0107 M.","year":"1975","journal-title":"J. Am. Chem. Soc."},{"key":"ci980070db00005\/ci980070db00005_1","doi-asserted-by":"crossref","first-page":"571","DOI":"10.1016\/0022-2860(93)87047-D","volume":"300","author":"Randi\u0107 M.","year":"1993","journal-title":"J. Mol. Struct."},{"key":"ci980070db00006\/ci980070db00006_1","doi-asserted-by":"crossref","first-page":"11","DOI":"10.1002\/qsar.19960150103","volume":"15","author":"Burden F. R.","year":"1996","journal-title":"Quant. Struct.-Act. Relat."},{"key":"ci980070db00007\/ci980070db00007_1","doi-asserted-by":"crossref","first-page":"314","DOI":"10.1002\/qsar.19970160406","volume":"16","author":"Burden F. R.","year":"1997","journal-title":"Quant. Struct.-Act. Relat."},{"key":"ci980070db00008\/ci980070db00008_1","unstructured":"Kier, L. B.; Hall, L. H. InReviews in Computational Chemistry;Lipkowitz, K. B.; Boyd, D. B., Eds.; VCH Publishers:\u2009 New York, 1995; Vol. 2, p 374."},{"key":"ci980070db00009\/ci980070db00009_1","doi-asserted-by":"crossref","unstructured":"Bauknecht, H.; Zell, A.; Bayer, H.; Levi, P.; Wagener, M.; Sadowski, J.; Gasteiger, J.J. Chem. Inf:\u2009 Comput. Sci.1996,36, 1205\u22121213.","DOI":"10.1021\/ci960346m"},{"key":"ci980070db00010\/ci980070db00010_1","first-page":"19","volume":"17","author":"Winkler D. A.","year":"1998","journal-title":"Quant. Struct.-Activ. Relat."},{"key":"ci980070db00011\/ci980070db00011_1","doi-asserted-by":"crossref","first-page":"9","DOI":"10.1021\/ci960373c","volume":"37","author":"Brown R. D.","year":"1997","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci980070db00012\/ci980070db00012_1","first-page":"231","volume":"17","author":"Winkler D. A.","year":"1998","journal-title":"Quant. Struct.-Activ. Relat."},{"key":"ci980070db00013\/ci980070db00013_1","doi-asserted-by":"crossref","first-page":"27","DOI":"10.1021\/ci00063a011","volume":"29","author":"Burden F. R.","year":"1989","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci980070db00014\/ci980070db00014_1","volume-title":"Charleston Conference Advancing New Lead Discovery, Isle of Palms, SC (March","author":"Pearlman R. S.","year":"1997"},{"key":"ci980070db00015\/ci980070db00015_1","doi-asserted-by":"crossref","first-page":"57","DOI":"10.1021\/jm00378a021","volume":"27","author":"Andrews P. R.","year":"1984","journal-title":"J. Med. Chem."},{"key":"ci980070db00016\/ci980070db00016_1","doi-asserted-by":"crossref","first-page":"66","DOI":"10.1002\/(SICI)1096-987X(199602)17:3<358::AID-JCC10>3.0.CO;2-G","volume":"17","author":"Platt D. E.","year":"1996","journal-title":"J. Comput. Chem."},{"key":"ci980070db00017\/ci980070db00017_1","doi-asserted-by":"crossref","first-page":"40","DOI":"10.1021\/jm950589q","volume":"39","author":"Silverman B.","year":"1996","journal-title":"J. Med. Chem."},{"key":"ci980070db00018\/ci980070db00018_1","doi-asserted-by":"crossref","unstructured":"Abraham, D. J.; Leo, A. J.Proteins:\u2009 Struct. Funct. Genetics1987,2, 130\u2212152.","DOI":"10.1002\/prot.340020207"},{"key":"ci980070db00019\/ci980070db00019_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":"ci980070db00020\/ci980070db00020_1","volume-title":"1699 South Hanley Road","author":"Tripos Associates"},{"key":"ci980070db00021\/ci980070db00021_1","doi-asserted-by":"crossref","first-page":"10","DOI":"10.1021\/jm00219a019","volume":"20","author":"Blair T.","year":"1977","journal-title":"J. Med. Chem."},{"key":"ci980070db00022\/ci980070db00022_1","doi-asserted-by":"crossref","first-page":"77","DOI":"10.1002\/qsar.2660110403","volume":"11","author":"Greco G.","year":"1992","journal-title":"Quant. Struct.-Act. Relat."},{"key":"ci980070db00023\/ci980070db00023_1","doi-asserted-by":"crossref","first-page":"16","DOI":"10.1002\/qsar.19960150104","volume":"15","author":"Gupta S. P.","year":"1996","journal-title":"Quant. Struct.-Act. Relat."},{"key":"ci980070db00024\/ci980070db00024_1","doi-asserted-by":"crossref","first-page":"1800","DOI":"10.1021\/cr00098a007","volume":"89","author":"Gupta S. P.","year":"1989","journal-title":"Chem. Rev."},{"key":"ci980070db00025\/ci980070db00025_1","doi-asserted-by":"crossref","first-page":"602","DOI":"10.1016\/0024-3205(91)90533-H","volume":"48","author":"Villar H. O.","year":"1991","journal-title":"Life Sci."},{"key":"ci980070db00026\/ci980070db00026_1","first-page":"322","volume":"14","author":"Haefely W.","year":"1985","journal-title":"Adv. Drug Res."},{"key":"ci980070db00027\/ci980070db00027_1","doi-asserted-by":"crossref","first-page":"2836","DOI":"10.1021\/jm00004a017","volume":"38","author":"Maddalena D.","year":"1995","journal-title":"J. Med. Chem."},{"key":"ci980070db00028\/ci980070db00028_1","first-page":"5256","volume":"39","author":"So S.-S.","year":"1996","journal-title":"J. Med. Chem."},{"key":"ci980070db00029\/ci980070db00029_1","unstructured":"Brereton, R. G.Chemometrics:\u2009 Applications of Mathematics andStatistics to Laboratory Systems;Ellis Horwood:\u2009 New York, 1990."},{"key":"ci980070db00030\/ci980070db00030_1","doi-asserted-by":"crossref","DOI":"10.7551\/mitpress\/5236.001.0001","volume-title":"Parallel distributed processing:\u2009 Explorations in the microstructure of cognition","author":"Rumelhart D. E.","year":"1986"},{"key":"ci980070db00031\/ci980070db00031_1","first-page":"170","volume":"36","author":"Salt D. W.","year":"1992","journal-title":"Pestic. Sci."},{"key":"ci980070db00032\/ci980070db00032_1","first-page":"366","volume":"2","author":"Hornik K.","year":"1988","journal-title":"Neural Networks"},{"key":"ci980070db00033\/ci980070db00033_1","doi-asserted-by":"crossref","first-page":"1231","DOI":"10.1021\/ci00022a001","volume":"34","author":"Burden F. R.","year":"1994","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci980070db00034\/ci980070db00034_1","first-page":"447","volume":"4","author":"MacKay D. J. C. A","year":"1992","journal-title":"Neural Computation"},{"key":"ci980070db00035\/ci980070db00035_1","unstructured":"Rouvray, D. H.Chem. Brit.1993b, June, 495\u2212498."},{"key":"ci980070db00036\/ci980070db00036_1","first-page":"86","volume":"9","author":"Ho C. M. W.","year":"1995","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ci980070db00037\/ci980070db00037_1","doi-asserted-by":"crossref","first-page":"255","DOI":"10.1021\/ci00064a004","volume":"29","author":"Rusinko A.","year":"1989","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci980070db00038\/ci980070db00038_1","doi-asserted-by":"crossref","first-page":"58","DOI":"10.1021\/ci970095x","volume":"38","author":"Zheng W.","year":"1998","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci980070db00039\/ci980070db00039_1","first-page":"99","volume":"38","author":"Shi L. M.","year":"1998","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci980070db00040\/ci980070db00040_1","doi-asserted-by":"crossref","first-page":"42","DOI":"10.1021\/ci970031m","volume":"38","author":"Lui D.","year":"1998","journal-title":"J. Chem. Inf. Comput. Sci"},{"key":"ci980070db00041\/ci980070db00041_1","doi-asserted-by":"crossref","first-page":"23","DOI":"10.1021\/jm9603781","volume":"40","author":"Horvath D.","year":"1997","journal-title":"J. Med. Chem."},{"key":"ci980070db00042\/ci980070db00042_1","doi-asserted-by":"crossref","first-page":"77","DOI":"10.1021\/ja973976t","volume":"120","author":"Vedani A.","year":"1998","journal-title":"J. Am. Chem. Soc."},{"key":"ci980070db00043\/ci980070db00043_1","doi-asserted-by":"crossref","first-page":"61","DOI":"10.1021\/ci960105e","volume":"37","author":"Polanski J.","year":"1997","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci980070db00044\/ci980070db00044_1","doi-asserted-by":"crossref","first-page":"36","DOI":"10.1021\/jm00042a006","volume":"37","author":"Walters D. E.","year":"1994","journal-title":"J. Med. Chem."},{"key":"ci980070db00045\/ci980070db00045_1","first-page":"757","volume":"37","author":"Zhang W.","year":"1994","journal-title":"J. Med. Chem."},{"key":"ci980070db00046\/ci980070db00046_1","doi-asserted-by":"crossref","first-page":"662","DOI":"10.1016\/0223-5234(96)85873-9","volume":"31","author":"Harrison P. W.","year":"1996","journal-title":"Eur. J. Med. Chem."},{"key":"ci980070db00047\/ci980070db00047_1","doi-asserted-by":"crossref","first-page":"1561","DOI":"10.1016\/0006-2952(92)90472-U","volume":"44","author":"Davies L. P.","year":"1992","journal-title":"Biochem. Pharmacol."},{"key":"ci980070db00048\/ci980070db00048_1","first-page":"2012","volume":"47","author":"Barlin G. B.","year":"1994","journal-title":"Aust. J. Chem."},{"key":"ci980070db00049\/ci980070db00049_1","doi-asserted-by":"crossref","first-page":"1673","DOI":"10.1021\/jm00063a017","volume":"36","author":"Fryer R. I.","year":"1993","journal-title":"J. Med. Chem."},{"key":"ci980070db00050\/ci980070db00050_1","first-page":"957","volume":"38","author":"Wang C.-G.","year":"1995","journal-title":"J. Med. Chem."},{"key":"ci980070db00051\/ci980070db00051_1","doi-asserted-by":"crossref","first-page":"1069","DOI":"10.1021\/jm00165a028","volume":"33","author":"Hollinshead S. P.","year":"1990","journal-title":"J. Med. Chem."},{"key":"ci980070db00052\/ci980070db00052_1","doi-asserted-by":"crossref","first-page":"1861","DOI":"10.1021\/jm00117a029","volume":"31","author":"Allen M. S.","year":"1988","journal-title":"J. Med. Chem."},{"key":"ci980070db00053\/ci980070db00053_1","doi-asserted-by":"crossref","first-page":"339","DOI":"10.1021\/jm00346a002","volume":"25","author":"Yokoyama N.","year":"1982","journal-title":"J. Med. Chem."}],"container-title":["Journal of Chemical Information and Computer Sciences"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci980070d","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2021,10,3]],"date-time":"2021-10-03T11:30:44Z","timestamp":1633260644000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci980070d"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1998,10,13]]},"references-count":53,"journal-issue":{"issue":"2","published-print":{"date-parts":[[1999,3,22]]}},"alternative-id":["10.1021\/ci980070d"],"URL":"https:\/\/doi.org\/10.1021\/ci980070d","relation":{},"ISSN":["0095-2338"],"issn-type":[{"value":"0095-2338","type":"print"}],"subject":[],"published":{"date-parts":[[1998,10,13]]}}}