{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,13]],"date-time":"2026-02-13T18:35:00Z","timestamp":1771007700925,"version":"3.50.1"},"reference-count":31,"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":[[2000,3,1]]},"DOI":"10.1021\/ci990268d","type":"journal-article","created":{"date-parts":[[2002,7,26]],"date-time":"2002-07-26T05:58:18Z","timestamp":1027663098000},"page":"314-322","source":"Crossref","is-referenced-by-count":33,"title":["Diversity Measures for Enhancing ADME Admissibility of Combinatorial Libraries"],"prefix":"10.1021","volume":"40","author":[{"given":"Ferenc","family":"Darvas","sequence":"first","affiliation":[{"name":"ComGenex, Inc., Bem rkp. 33-34, H-1027, Budapest, Hungary"}]},{"given":"Gy\u00f6rgy","family":"Dorm\u00e1n","sequence":"additional","affiliation":[{"name":"ComGenex, Inc., Bem rkp. 33-34, H-1027, Budapest, Hungary"}]},{"given":"\u00c1kos","family":"Papp","sequence":"additional","affiliation":[{"name":"ComGenex, Inc., Bem rkp. 33-34, H-1027, Budapest, Hungary"}]}],"member":"316","published-online":{"date-parts":[[2000,2,8]]},"reference":[{"key":"ci990268db00001\/ci990268db00001_1","doi-asserted-by":"crossref","first-page":"1401","DOI":"10.1021\/jm00036a001","volume":"37","author":"Gordon E. M.","year":"1994","journal-title":"J. Med. Chem."},{"key":"ci990268db00002\/ci990268db00002_1","doi-asserted-by":"crossref","first-page":"9","DOI":"10.1016\/S1359-6446(98)01279-3","volume":"4","author":"Warmus J. S","year":"1999","journal-title":"Drug Discovery Today"},{"key":"ci990268db00003\/ci990268db00003_1","doi-asserted-by":"crossref","first-page":"178","DOI":"10.1016\/S1359-6446(97)01163-X","volume":"3","author":"Walters W. P.","year":"1998","journal-title":"Drug Discovery Today"},{"key":"ci990268db00004\/ci990268db00004_1","doi-asserted-by":"crossref","first-page":"3059","DOI":"10.1021\/jm960290n","volume":"39","author":"Patterson D. E.","year":"1996","journal-title":"J. Med. Chem."},{"key":"ci990268db00005\/ci990268db00005_1","first-page":"70","volume":"1","author":"Kauvar L. M.","year":"1998","journal-title":"Curr. Opin. Drug Discovery Dev."},{"key":"ci990268db00006\/ci990268db00006_1","doi-asserted-by":"crossref","first-page":"21","DOI":"10.1038\/384021a0","volume":"384","author":"Hogan J. C","year":"1996","journal-title":"Nature"},{"key":"ci990268db00007\/ci990268db00007_1","doi-asserted-by":"crossref","first-page":"45","DOI":"10.1021\/cc9800024","volume":"1","author":"Martin E. J.","year":"1999","journal-title":"J. Comb. Chem."},{"key":"ci990268db00008\/ci990268db00008_1","doi-asserted-by":"crossref","first-page":"1023","DOI":"10.1021\/ci9800209","volume":"38","author":"Cramer R. D.","year":"1998","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci990268db00009\/ci990268db00009_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":"ci990268db00010\/ci990268db00010_1","doi-asserted-by":"crossref","first-page":"68","DOI":"10.1021\/cc9800071","volume":"1","author":"Ghose A. K.","year":"1999","journal-title":"J. Comb. Chem."},{"key":"ci990268db00011\/ci990268db00011_1","first-page":"452","volume-title":"Combinatorial Chemistry and Molecular Diversity in Drug Discovery","author":"Berman J.","year":"1998"},{"key":"ci990268db00012\/ci990268db00012_1","first-page":"30","volume-title":"The Report and Recommendations of ECVAM Workshop 22, ATLA 25","author":"Leahy D. E.","year":"1997"},{"key":"ci990268db00013\/ci990268db00013_1","doi-asserted-by":"crossref","first-page":"185","DOI":"10.1002\/(SICI)1098-1128(199805)18:3<149::AID-MED2>3.0.CO;2-X","volume":"18","author":"Fecik R. A.","year":"1998","journal-title":"Med. Res. Rev."},{"key":"ci990268db00014\/ci990268db00014_1","unstructured":"Gibbons, J. A.; Taylor E. W.; Braeckman, R. A. ADME\/PK Assays in Screening for Orally Active Drug Candidates. InCombinatorial Chemistryand Molecular Diversity in Drug Discovery;Gordon, E. M., Kerwin, J. F., Eds.; Wiley-Liss:\u2009 New York, 1998; pp 453\u2212469."},{"key":"ci990268db00015\/ci990268db00015_1","first-page":"13","volume":"17","author":"Darvas F.","year":"1999","journal-title":"Chim. Oggi"},{"key":"ci990268db00016\/ci990268db00016_1","first-page":"15","volume-title":"Drug Metabolism, Databases and High-Throughput Testing During Drug Design and Development","author":"Erhardt P. W.","year":"1999"},{"key":"ci990268db00017\/ci990268db00017_1","unstructured":"Darvas, F.; Marokh\u00e1zi, S.; Kormos, P.; Kulkarni, G.; Kal\u00e1sz, H.; Papp, \u00c1. MetabolExpert:\u2009 Its Use in Metabolism Research and in Combinatorial Chemistry. InDrug Metabolism, Databases and High-Throughput TestingDuring Drug Design and Development; Erhardt, P. W., Ed.; Blackwell Science:\u2009 Cambridge, MA, 1999; pp 237\u2212270. Klopman, G.; Tu, M. META:\u2009 A Program for the Prediction of the Products of Mammal Metabolism of Xenobiotics. InDrug Metabolism, Databases and High-ThroughputTesting During Drug Design and Development; Erhardt, P. W., Ed.; Blackwell Science:\u2009 Cambridge, MA, 1999; pp 271\u2212276."},{"key":"ci990268db00018\/ci990268db00018_1","unstructured":"Darvas, F.; Papp, \u00c1.; Allardyce, A.; Benfenati, E.; Gini, G.; Tichy, M.; Sobb, N.; Citti, A.; Overview of Different Artificial Intelligence Approaches Combined with a Deductive Logic-Based Expert System for Predicting Chemical Toxicity. InConference Book:\u2009 Predictive Toxicology ofChemicals, American Association for Artificial Intelligence, SpringSymposium Series;Stanford University:\u2009 Stanford, CA, 1999; pp 94\u221299. Greene, N. Knowledge Based Expert Systems for Toxicity and Metabolism Prediction. InDrug Metabolism, Databases and High-Throughput TestingDuring Drug Design and Development; Erhardt, P. W., Ed.; Blackwell Science:\u2009 Cambridge, MA, 1999; pp 289\u2212296."},{"key":"ci990268db00019\/ci990268db00019_1","doi-asserted-by":"crossref","first-page":"769","DOI":"10.1021\/jf980347+","volume":"47","author":"Keser\u00fc G.","year":"1999","journal-title":"J. Agric. Food Chem."},{"key":"ci990268db00020\/ci990268db00020_1","volume-title":"2nd Conference on Retro-Metabolism Based Drug Design and Targeting, May 11\u221214","author":"Darvas F.","year":"1999"},{"key":"ci990268db00021\/ci990268db00021_1","volume-title":"CHI Conference:\u2009 Strategies and Techniques for Identification of Novel Bioactive Compounds","author":"Darvas F.","year":"1998"},{"key":"ci990268db00022\/ci990268db00022_1","first-page":"510","volume-title":"Trends. In QSAR Molecular Modelling 92","author":"Csizmadia F.","year":"1993"},{"key":"ci990268db00023\/ci990268db00023_1","doi-asserted-by":"crossref","first-page":"871","DOI":"10.1021\/js960177k","volume":"86","author":"Csizmadia F.","year":"1997","journal-title":"J. Pharm. Sci."},{"key":"ci990268db00024\/ci990268db00024_1","doi-asserted-by":"crossref","first-page":"1179","DOI":"10.1021\/js960177k","volume":"86","author":"Csizmadia F.","year":"1997","journal-title":"J. Pharm. Sci."},{"key":"ci990268db00025\/ci990268db00025_1","first-page":"130","volume-title":"Perspectives in Drug Discovery and Design","author":"Warr W. A.","year":"1997"},{"key":"ci990268db00026\/ci990268db00026_1","first-page":"49","volume-title":"Perspectives in Drug Discovery and Design","author":"Brown R. D.","year":"1997"},{"key":"ci990268db00027\/ci990268db00027_1","unstructured":"Martin, Y. C.; Brown, R. D.; Bures, M. G. Quantifying Diversity InCombinatorial Chemistry and Molecular Diversity in Drug Discovery;Gordon, E. M., Kerwin, J. F., Eds.; Wiley-Liss:\u2009 New York, 1998; pp 369\u2212383."},{"key":"ci990268db00028\/ci990268db00028_1","doi-asserted-by":"crossref","first-page":"448","DOI":"10.1021\/ci960151e","volume":"37","author":"McGregor M. J.","year":"1997","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci990268db00029\/ci990268db00029_1","volume-title":"Calculation of Drug Lipophilicity","author":"Rekker R. F.","year":"1992"},{"key":"ci990268db00030\/ci990268db00030_1","doi-asserted-by":"crossref","first-page":"565","DOI":"10.1002\/jcc.540070419","volume":"7","author":"Ghose A. K.","year":"1986","journal-title":"J. Comput. Chem."},{"key":"ci990268db00031\/ci990268db00031_1","first-page":"71","volume":"19","author":"Broto P.","year":"1984","journal-title":"Eur. J. Med.Chem.\u2212Chim. Ther."}],"container-title":["Journal of Chemical Information and Computer Sciences"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci990268d","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2021,9,23]],"date-time":"2021-09-23T18:29:17Z","timestamp":1632421757000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci990268d"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2000,2,8]]},"references-count":31,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2000,3,1]]}},"alternative-id":["10.1021\/ci990268d"],"URL":"https:\/\/doi.org\/10.1021\/ci990268d","relation":{},"ISSN":["0095-2338"],"issn-type":[{"value":"0095-2338","type":"print"}],"subject":[],"published":{"date-parts":[[2000,2,8]]}}}