{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,7,1]],"date-time":"2025-07-01T13:06:01Z","timestamp":1751375161018},"reference-count":53,"publisher":"American Chemical Society (ACS)","issue":"3","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Comput. Sci."],"published-print":{"date-parts":[[2000,5,1]]},"DOI":"10.1021\/ci990112d","type":"journal-article","created":{"date-parts":[[2002,7,26]],"date-time":"2002-07-26T05:58:18Z","timestamp":1027663098000},"page":"816-832","source":"Crossref","is-referenced-by-count":12,"title":["Critical Point Representations of Electron Density Maps for the Comparison of Benzodiazepine-Type Ligands"],"prefix":"10.1021","volume":"40","author":[{"given":"Laurence","family":"Leherte","sequence":"first","affiliation":[{"name":"Facult\u00e9s Universitaires Notre-Dame de la Paix, Laboratoire de Physico-Chimie Informatique, Rue de Bruxelles 61, B-5000 Namur, Belgium"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Nathalie","family":"Meurice","sequence":"additional","affiliation":[{"name":"Facult\u00e9s Universitaires Notre-Dame de la Paix, Laboratoire de Physico-Chimie Informatique, Rue de Bruxelles 61, B-5000 Namur, Belgium"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Daniel P.","family":"Vercauteren","sequence":"additional","affiliation":[{"name":"Facult\u00e9s Universitaires Notre-Dame de la Paix, Laboratoire de Physico-Chimie Informatique, Rue de Bruxelles 61, B-5000 Namur, Belgium"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2000,2,15]]},"reference":[{"key":"ci990112db00001\/ci990112db00001_1","first-page":"942","volume":"37","author":"Robinson D. D.","year":"1997","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci990112db00002\/ci990112db00002_1","first-page":"950","volume":"37","author":"Robinson D. D.","year":"1997","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci990112db00003\/ci990112db00003_1","doi-asserted-by":"crossref","first-page":"141","DOI":"10.1007\/978-94-015-8488-3_8","volume-title":"Molecular Similarity and Reactivity:\u2009 From Quantum Chemical to Phenomenological Approaches","author":"Rohrer D.","year":"1995"},{"key":"ci990112db00004\/ci990112db00004_1","doi-asserted-by":"crossref","first-page":"954","DOI":"10.1002\/(SICI)1096-987X(199705)18:7<934::AID-JCC6>3.0.CO;2-S","volume":"18","author":"Mestres J.","year":"1997","journal-title":"J. Comput. Chem."},{"key":"ci990112db00005\/ci990112db00005_1","first-page":"313","volume":"25","author":"Carb\u00f3 R.","year":"1994","journal-title":"Adv. Quantum Chem."},{"key":"ci990112db00006\/ci990112db00006_1","doi-asserted-by":"crossref","first-page":"191","DOI":"10.1021\/ci00007a003","volume":"32","author":"Good A. C.","year":"1992","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci990112db00007\/ci990112db00007_1","first-page":"321","volume-title":"Concepts and Applications of Molecular Similarity","author":"Mezey P.","year":"1990"},{"key":"ci990112db00008\/ci990112db00008_1","first-page":"469","volume":"8","author":"Mezey P. G","year":"1987","journal-title":"J. Comput. Chem."},{"key":"ci990112db00009\/ci990112db00009_1","first-page":"619","volume":"9","author":"Arteca G. A.","year":"1988","journal-title":"J. Comput. Chem."},{"key":"ci990112db00010\/ci990112db00010_1","volume-title":"Funct. Genet.","author":"Lin S. L.","year":"1994"},{"key":"ci990112db00011\/ci990112db00011_1","volume-title":"Atoms in Molecules\u2212A Quantum Theory","author":"Bader R. W.","year":"1995"},{"key":"ci990112db00012\/ci990112db00012_1","volume-title":"The Oak Ridge Critical Point Network Program","author":"Johnson C. K. ORCRIT.","year":"1977"},{"key":"ci990112db00013\/ci990112db00013_1","doi-asserted-by":"crossref","first-page":"378","DOI":"10.1016\/0009-2614(92)87006-B","volume":"200","author":"Shirsat R. N.","year":"1992","journal-title":"Chem. Phys. Lett."},{"key":"ci990112db00014\/ci990112db00014_1","doi-asserted-by":"crossref","first-page":"9563","DOI":"10.1021\/ja00142a026","volume":"117","author":"Gadre S. R.","year":"1995","journal-title":"J. Am. Chem. Soc."},{"key":"ci990112db00015\/ci990112db00015_1","first-page":"167","volume":"36","author":"Wild D. J.","year":"1996","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci990112db00016\/ci990112db00016_1","doi-asserted-by":"crossref","first-page":"908","DOI":"10.1021\/ci960002w","volume":"36","author":"Thorner D. A.","year":"1996","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci990112db00017\/ci990112db00017_1","doi-asserted-by":"crossref","first-page":"851","DOI":"10.1126\/science.199943","volume":"198","author":"Moehler H.","year":"1977","journal-title":"Science"},{"key":"ci990112db00018\/ci990112db00018_1","doi-asserted-by":"crossref","first-page":"3809","DOI":"10.1073\/pnas.74.9.3805","volume":"74","author":"Braestrup C.","year":"1977","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ci990112db00019\/ci990112db00019_1","doi-asserted-by":"crossref","first-page":"244","DOI":"10.1016\/0263-7855(93)80003-A","volume":"11","author":"Bernassau J. M.","year":"1993","journal-title":"J. Mol. Graphics"},{"key":"ci990112db00020\/ci990112db00020_1","unstructured":"Bourguignon, J.J. InPeripheral Benzodiazepine Receptors; Giesen-Crouse, E., Ed.; Academic Press:\u2009 San Diego, CA, 1993; p 59."},{"key":"ci990112db00021\/ci990112db00021_1","doi-asserted-by":"crossref","first-page":"2921","DOI":"10.1021\/jm9509206","volume":"39","author":"Colotta V.","year":"1996","journal-title":"J. Med. Chem."},{"key":"ci990112db00022\/ci990112db00022_1","first-page":"34","volume":"26","author":"Loew G. H.","year":"1984","journal-title":"Mol. Pharmacol."},{"key":"ci990112db00023\/ci990112db00023_1","first-page":"184","volume":"28","author":"Codding P. W.","year":"1985","journal-title":"Mol. Pharmacol."},{"key":"ci990112db00024\/ci990112db00024_1","first-page":"1957","volume":"39","author":"Fryer R. I","year":"1986","journal-title":"Life Sci."},{"key":"ci990112db00025\/ci990112db00025_1","first-page":"344","volume":"31","author":"Borea P. A.","year":"1987","journal-title":"Mol. Pharmacol."},{"key":"ci990112db00026\/ci990112db00026_1","doi-asserted-by":"crossref","first-page":"170","DOI":"10.1007\/BF01676959","volume":"1","author":"Tebib S.","year":"1987","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ci990112db00027\/ci990112db00027_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":"ci990112db00028\/ci990112db00028_1","doi-asserted-by":"crossref","first-page":"442","DOI":"10.1071\/CH9960435","volume":"49","author":"M\u00e1tyus P.","year":"1996","journal-title":"Aust. J. Chem."},{"key":"ci990112db00029\/ci990112db00029_1","doi-asserted-by":"crossref","first-page":"209","DOI":"10.1021\/ci00002a004","volume":"31","author":"Allen F. H.","year":"1991","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci990112db00030\/ci990112db00030_1","author":"Meurice N.","journal-title":"Acta Crystallogr., manuscript in preparation."},{"key":"ci990112db00031\/ci990112db00031_1","unstructured":"XTAL 3.0 User's Manual; Hall, S. R.; Stewart, J. M., Eds.; Universities of Western Australia and Maryland:\u2009 Nedlands, Western Australia, and College Park, MD, 1990."},{"key":"ci990112db00032\/ci990112db00032_1","doi-asserted-by":"crossref","first-page":"272","DOI":"10.1007\/BF00126744","volume":"8","author":"Leherte L.","year":"1994","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ci990112db00033\/ci990112db00033_1","doi-asserted-by":"crossref","first-page":"166","DOI":"10.1107\/S0907444993011345","volume":"50","author":"Leherte L.","year":"1994","journal-title":"Acta Crystallogr. D"},{"key":"ci990112db00034\/ci990112db00034_1","doi-asserted-by":"crossref","first-page":"171","DOI":"10.1007\/s008940050028","volume":"3","author":"Leherte L.","year":"1997","journal-title":"J. Mol. Model."},{"key":"ci990112db00035\/ci990112db00035_1","doi-asserted-by":"crossref","first-page":"534","DOI":"10.1007\/BF00124360","volume":"7","author":"Hodgkin E. E.","year":"1993","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ci990112db00036\/ci990112db00036_1","doi-asserted-by":"crossref","first-page":"1092","DOI":"10.1063\/1.1699114","volume":"21","author":"Metropolis N.","year":"1953","journal-title":"J. Chem. Phys."},{"key":"ci990112db00037\/ci990112db00037_1","volume-title":"Genetic Algorithms in Search, Optimization, and Machine Learning","author":"Goldberg D. E.","year":"1989"},{"key":"ci990112db00038\/ci990112db00038_1","first-page":"33","volume":"19","author":"Lucasius C. B.","year":"1993","journal-title":"Chemom. Intell. Lab. Syst."},{"key":"ci990112db00039\/ci990112db00039_1","doi-asserted-by":"crossref","first-page":"145","DOI":"10.1016\/0169-7439(94)85038-0","volume":"25","author":"Lucasius C. B.","year":"1994","journal-title":"Chemom. Intell. Lab. Syst."},{"key":"ci990112db00040\/ci990112db00040_1","first-page":"1353","volume":"18","author":"Paretti M. F.","year":"1997","journal-title":"J. Comput. Chem."},{"key":"ci990112db00041\/ci990112db00041_1","first-page":"70","volume":"34","author":"Brown R. D.","year":"1994","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci990112db00042\/ci990112db00042_1","doi-asserted-by":"crossref","first-page":"549","DOI":"10.1007\/BF00124324","volume":"9","author":"Jones G.","year":"1995","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ci990112db00043\/ci990112db00043_1","doi-asserted-by":"crossref","first-page":"232","DOI":"10.1021\/ci970438r","volume":"38","author":"Handschuh S.","year":"1998","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci990112db00044\/ci990112db00044_1","unstructured":"Meurice, N.; Leherte, L.; Vercauteren, D. P.; Bourguignon, J.J.; Wermuth, C. G. InComputer-Assisted Lead Finding and Optimization; van de Waterbeemd, H., Testa, B., Folkers, G., Eds.; Verlag:\u2009 Basel, Switzerland, 1997; p 497."},{"key":"ci990112db00045\/ci990112db00045_1","doi-asserted-by":"crossref","first-page":"232","DOI":"10.1080\/10629369808039141","volume":"8","author":"Meurice N.","year":"1998","journal-title":"SAR QSAR Environ. Res."},{"key":"ci990112db00046\/ci990112db00046_1","first-page":"778","volume":"8","author":"Klebe G.","year":"1994","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ci990112db00047\/ci990112db00047_1","doi-asserted-by":"crossref","first-page":"680","DOI":"10.1126\/science.220.4598.671","volume":"220","author":"Kirkpatrick S.","year":"1983","journal-title":"Science"},{"key":"ci990112db00048\/ci990112db00048_1","doi-asserted-by":"crossref","first-page":"381","DOI":"10.1002\/(SICI)1097-461X(1996)58:4<373::AID-QUA6>3.0.CO;2-V","volume":"58","author":"Mundim K. C.","year":"1996","journal-title":"Int. J. Quantum Chem."},{"key":"ci990112db00049\/ci990112db00049_1","first-page":"329","volume":"18","author":"Wang Z.","year":"1997","journal-title":"J. Comput. Chem."},{"key":"ci990112db00050\/ci990112db00050_1","volume-title":"Technical report","author":"Heisterberg D. J."},{"key":"ci990112db00051\/ci990112db00051_1","doi-asserted-by":"crossref","first-page":"92","DOI":"10.1007\/BF01277550","volume":"15","author":"Butzlaff M.","year":"1994","journal-title":"J. Math. Chem."},{"key":"ci990112db00052\/ci990112db00052_1","author":"Leherte L","journal-title":"J. Math. Chem., manuscript in preparation."},{"key":"ci990112db00053\/ci990112db00053_1","unstructured":"IBM Visualization Data Explorer; IBM Corp:\u2009 Riverton, NJ, 1996."}],"container-title":["Journal of Chemical Information and Computer Sciences"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci990112d","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2021,10,19]],"date-time":"2021-10-19T00:20:53Z","timestamp":1634602853000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci990112d"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2000,2,15]]},"references-count":53,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2000,5,1]]}},"alternative-id":["10.1021\/ci990112d"],"URL":"https:\/\/doi.org\/10.1021\/ci990112d","relation":{},"ISSN":["0095-2338"],"issn-type":[{"value":"0095-2338","type":"print"}],"subject":[],"published":{"date-parts":[[2000,2,15]]}}}