{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,6]],"date-time":"2025-11-06T19:51:04Z","timestamp":1762458664631},"reference-count":36,"publisher":"American Chemical Society (ACS)","issue":"10","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2008,10,27]]},"DOI":"10.1021\/ci800148z","type":"journal-article","created":{"date-parts":[[2008,10,3]],"date-time":"2008-10-03T12:13:32Z","timestamp":1223036012000},"page":"1974-1983","source":"Crossref","is-referenced-by-count":7,"title":["Can Descriptors of the Electron Density Distribution Help To Distinguish Functional Groups?"],"prefix":"10.1021","volume":"48","author":[{"given":"Julien","family":"Burton","sequence":"first","affiliation":[{"name":"Laboratoire de Physico-Chimie Informatique, Groupe de Chimie Physique, Th\u00e9orique et Structurale, University of Namur (FUNDP), 61 rue de Bruxelles, B-5000 Namur, Belgium"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Nathalie","family":"Meurice","sequence":"additional","affiliation":[{"name":"Laboratoire de Physico-Chimie Informatique, Groupe de Chimie Physique, Th\u00e9orique et Structurale, University of Namur (FUNDP), 61 rue de Bruxelles, B-5000 Namur, Belgium"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Laurence","family":"Leherte","sequence":"additional","affiliation":[{"name":"Laboratoire de Physico-Chimie Informatique, Groupe de Chimie Physique, Th\u00e9orique et Structurale, University of Namur (FUNDP), 61 rue de Bruxelles, B-5000 Namur, Belgium"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Daniel P.","family":"Vercauteren","sequence":"additional","affiliation":[{"name":"Laboratoire de Physico-Chimie Informatique, Groupe de Chimie Physique, Th\u00e9orique et Structurale, University of Namur (FUNDP), 61 rue de Bruxelles, B-5000 Namur, Belgium"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2008,10,3]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"349","DOI":"10.1016\/j.cbpa.2004.06.008","volume":"8","author":"Oprea T. I.","year":"2004","journal-title":"Curr. Opin. Chem. Biol."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","DOI":"10.1002\/3527603743","volume-title":"Chemoinformatics in drug discovery;","author":"Oprea T. I.","year":"2005"},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"81","DOI":"10.1007\/s10822-007-9162-7","volume":"22","author":"Doweyko A. M.","year":"2008","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref4\/cit4","volume-title":"Atoms in molecules - A quantum theory;","author":"Bader R. F. W.","year":"1995"},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"215","DOI":"10.1007\/978-94-011-1350-2_9","volume-title":"Molecular similarity in drug design","author":"Popelier P. L. A.","year":"1995"},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"1169","DOI":"10.1080\/00268979600100781","volume":"87","author":"Popelier P. L. A.","year":"1996","journal-title":"Mol. Phys."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"212","DOI":"10.1016\/0010-4655(95)00113-1","volume":"93","author":"Popelier P. L. A.","year":"1996","journal-title":"Comput. Phys. Commun."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"862","DOI":"10.1016\/j.ejmech.2006.03.004","volume":"41","author":"Popelier P. L. A.","year":"2006","journal-title":"Eur. J. Med. Chem."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"2883","DOI":"10.1021\/jp984735q","volume":"103","author":"Popelier P. L. A.","year":"1999","journal-title":"J. Phys. Chem."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"9747","DOI":"10.1021\/j100024a016","volume":"99","author":"Koch U.","year":"1995","journal-title":"J. Phys. Chem."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"257","DOI":"10.1007\/BF00126744","volume":"8","author":"Leherte L.","year":"1994","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref12\/cit12","first-page":"14","volume":"94","author":"Becue A.","year":"2007","journal-title":"Chim. Nouv."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"2150","DOI":"10.1107\/S0907444903019267","volume":"59","author":"Becue A.","year":"2003","journal-title":"Acta Crystallogr., Sect. D: Biol. Crystallogr."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"1117","DOI":"10.1002\/jcc.20033","volume":"25","author":"Becue A.","year":"2004","journal-title":"J. Comput. Chem."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"195","DOI":"10.1080\/10629369808039141","volume":"8","author":"Meurice N.","year":"1998","journal-title":"SAR QSAR Environ. Res."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"816","DOI":"10.1021\/ci990112d","volume":"40","author":"Leherte L.","year":"2000","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"47","DOI":"10.1023\/A:1011075018107","volume":"29","author":"Leherte L.","year":"2001","journal-title":"J. Math. Chem."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"525","DOI":"10.1007\/s10822-005-9005-3","volume":"19","author":"Leherte L.","year":"2005","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"156","DOI":"10.1007\/s008940050028","volume":"3","author":"Leherte L.","year":"1997","journal-title":"J. Mol. Model."},{"key":"ref20\/cit20","unstructured":"Cambridge Strucural Database (CSD).http:\/\/www.ccdc.cam.ac.uk\/products\/csd\/(accessed July 1, 2008) ."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"380","DOI":"10.1107\/S0108768102003890","volume":"58","author":"Allen F. H.","year":"2002","journal-title":"Acta Crystallogr., Sect. B: Struct. Sci."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"389","DOI":"10.1107\/S0108768102003324","volume":"58","author":"Bruno I. J.","year":"2002","journal-title":"Acta Cryst. B"},{"key":"ref23\/cit23","volume-title":"Xtal 3.7 System","author":"Hall S. R.","year":"2000"},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"1394","DOI":"10.1021\/ci034157x","volume":"44","author":"Binam\u00e9 J.","year":"2004","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref25\/cit25","volume-title":"The Oak Ridge critical point network program;","author":"Johnson C. K.","year":"1977"},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"221","DOI":"10.1016\/S1093-3263(97)00080-6","volume":"15","author":"Holliday J. D.","year":"1997","journal-title":"J. Mol. Graphics Modell."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"19","DOI":"10.1016\/S1093-3263(98)00014-X","volume":"16","author":"Cosgrove D. A.","year":"1998","journal-title":"J. Mol. Graphics Modell."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"915","DOI":"10.1021\/ci980044f","volume":"38","author":"Sheridan R. P.","year":"1998","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"349","DOI":"10.1016\/S1093-3263(00)00084-X","volume":"19","author":"Gancia E.","year":"2001","journal-title":"J. Mol. Graphics Modell."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"374","DOI":"10.1021\/ci0255782","volume":"43","author":"Ertl P.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref31\/cit31","unstructured":"Aureus Pharma homepage.www.aureus-pharma.com(accessed July 1, 2008) ."},{"key":"ref32\/cit32","volume-title":"Principal component analysis","author":"Jolliffe I. T.","year":"2002"},{"key":"ref33\/cit33","doi-asserted-by":"crossref","DOI":"10.1007\/3-540-28349-8","volume-title":"Grouping multidimensional data: Recent advances in clustering","author":"Kogan J.","year":"2006"},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"174","DOI":"10.1016\/j.ijar.2005.11.001","volume":"42","author":"Dawyndt P.","year":"2006","journal-title":"Int. J. Approx. Reason."},{"key":"ref35\/cit35","volume-title":"submitted to SAR & QSAR Environ. Res.","author":"Burton J."},{"key":"ref36\/cit36","volume-title":"to be submitted to Chemom. Intell. Lab. Syst.","author":"Burton J."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci800148z","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,3,23]],"date-time":"2023-03-23T15:30:09Z","timestamp":1679585409000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci800148z"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2008,10,3]]},"references-count":36,"journal-issue":{"issue":"10","published-print":{"date-parts":[[2008,10,27]]}},"alternative-id":["10.1021\/ci800148z"],"URL":"https:\/\/doi.org\/10.1021\/ci800148z","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2008,10,3]]}}}