{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,21]],"date-time":"2026-03-21T09:19:10Z","timestamp":1774084750487,"version":"3.50.1"},"reference-count":34,"publisher":"American Chemical Society (ACS)","issue":"8","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2013,8,26]]},"DOI":"10.1021\/ci300601q","type":"journal-article","created":{"date-parts":[[2013,7,11]],"date-time":"2013-07-11T16:18:43Z","timestamp":1373559523000},"page":"1967-1978","source":"Crossref","is-referenced-by-count":77,"title":["Enhancing Molecular Shape Comparison by Weighted Gaussian Functions"],"prefix":"10.1021","volume":"53","author":[{"given":"Xin","family":"Yan","sequence":"first","affiliation":[{"name":"Research Center\rfor Drug Discovery,\rSchool of Pharmaceutical Sciences, Sun Yat-sen University, 132 East Circle at University City, Guangzhou, 510006, China"}]},{"given":"Jiabo","family":"Li","sequence":"additional","affiliation":[{"name":"SciNet Technologies, 9943 Fieldthron Street, San Diego, California 92127, United States"},{"name":"Accelrys, Inc., 10188 Telesis Court, San Diego, California 92121, United States"}]},{"given":"Zhihong","family":"Liu","sequence":"additional","affiliation":[{"name":"Research Center\rfor Drug Discovery,\rSchool of Pharmaceutical Sciences, Sun Yat-sen University, 132 East Circle at University City, Guangzhou, 510006, China"}]},{"given":"Minghao","family":"Zheng","sequence":"additional","affiliation":[{"name":"Research Center\rfor Drug Discovery,\rSchool of Pharmaceutical Sciences, Sun Yat-sen University, 132 East Circle at University City, Guangzhou, 510006, China"}]},{"given":"Hu","family":"Ge","sequence":"additional","affiliation":[{"name":"Research Center\rfor Drug Discovery,\rSchool of Pharmaceutical Sciences, Sun Yat-sen University, 132 East Circle at University City, Guangzhou, 510006, China"}]},{"given":"Jun","family":"Xu","sequence":"additional","affiliation":[{"name":"Research Center\rfor Drug Discovery,\rSchool of Pharmaceutical Sciences, Sun Yat-sen University, 132 East Circle at University City, Guangzhou, 510006, China"}]}],"member":"316","published-online":{"date-parts":[[2013,7,25]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"3862","DOI":"10.1021\/jm900818s","volume":"53","author":"Nicholls A.","year":"2010","journal-title":"J. Med. Chem."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"3503","DOI":"10.1021\/j100011a016","volume":"99","author":"Grant J. A.","year":"1995","journal-title":"J. Phys. Chem."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"1653","DOI":"10.1002\/(SICI)1096-987X(19961115)17:14<1653::AID-JCC7>3.0.CO;2-K","volume":"14","author":"Grant J. A.","year":"1996","journal-title":"J. Comput. Chem."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"451","DOI":"10.1007\/s10822-004-5202-8","volume":"18","author":"Nicholls A.","year":"2004","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"1711","DOI":"10.1002\/jcc.20681","volume":"28","author":"Ballester F. J.","year":"2007","journal-title":"J. Comput. Chem."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"2347","DOI":"10.1093\/bioinformatics\/bti337","volume":"21","author":"Morris R. J","year":"2005","journal-title":"Bioinformatics"},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"1787","DOI":"10.1021\/ci7001507","volume":"47","author":"Mavridis L.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"492","DOI":"10.1021\/ci800315d","volume":"49","author":"Vainio M. J.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"2455","DOI":"10.1021\/ci2002704","volume":"51","author":"Sastry G. M.","year":"2011","journal-title":"J. Chem. Inf. Model."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"2372","DOI":"10.1021\/ci200060s","volume":"51","author":"Liu X.","year":"2011","journal-title":"J. Chem. Inf. Model."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"188","DOI":"10.1021\/ci00007a002","volume":"32","author":"Good A. C.","year":"1992","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"112","DOI":"10.1021\/ci00011a016","volume":"33","author":"Good A. C.","year":"1993","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"1230","DOI":"10.1021\/jm00061a014","volume":"36","author":"Masek B. B.","year":"1993","journal-title":"J. Med. Chem."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"3564","DOI":"10.1021\/jm200139j","volume":"54","author":"Lu W.","year":"2011","journal-title":"J. Med. Chem."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"74","DOI":"10.1021\/jm0603365","volume":"50","author":"Hawkins P. C. D.","year":"2007","journal-title":"J. Med. Chem."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"3222","DOI":"10.1021\/jm8001058","volume":"51","author":"Venhorst J.","year":"2008","journal-title":"J. Med. Chem."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"1489","DOI":"10.1021\/jm040163o","volume":"48","author":"Rush T. S.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"117","DOI":"10.1002\/jcc.21307","volume":"31","author":"Haque I. S.","year":"2010","journal-title":"J. Comput. Chem."},{"key":"ref19\/cit19","unstructured":"FastROCS, version 1.0;OpenEye Scientific Software Inc.:Santa Fe, NM, USA, 2011."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"1514","DOI":"10.2174\/156802607782194770","volume":"7","author":"Putta S.","year":"2007","journal-title":"Curr. Top. Med. Chem."},{"key":"ref21\/cit21","first-page":"80","volume":"37","author":"Hahn M.","year":"1997","journal-title":"J. Chem. Inf. Model."},{"key":"ref22\/cit22","volume-title":"Discovery Studio","year":"2012"},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"1118","DOI":"10.1021\/ja00291a006","volume":"107","author":"Connolly M. L.","year":"1985","journal-title":"J. Am. Chem. Soc."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"1247","DOI":"10.1080\/00268978700102951","volume":"62","author":"Gibson K. D.","year":"1987","journal-title":"Mol. Phys."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"63","DOI":"10.1016\/0022-2836(84)90231-6","volume":"178","author":"Richmond T. J.","year":"1984","journal-title":"J. Mol. Biol."},{"key":"ref26\/cit26","first-page":"542","volume":"200","author":"Boys S. F.","year":"1950","journal-title":"Proc. R. Soc. London"},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"1923","DOI":"10.1021\/ci700136x","volume":"47","author":"Li J.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"441","DOI":"10.1021\/j100785a001","volume":"68","author":"Bondi A.","year":"1964","journal-title":"J. Phys. Chem."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"5806","DOI":"10.1021\/jp8111556","volume":"113","author":"Mantina M.","year":"2009","journal-title":"J. Phys. Chem. A"},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"6789","DOI":"10.1021\/jm0608356","volume":"49","author":"Huang N.","year":"2006","journal-title":"J. Med. Chem."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"678","DOI":"10.1021\/ci8004226","volume":"49","author":"Kirchmair J.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"742","DOI":"10.1021\/ci100050t","volume":"50","author":"Rogers D.","year":"2010","journal-title":"J. Chem. Inf. Model."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"76","DOI":"10.1002\/bip.10207","volume":"68","author":"McGann M. R.","year":"2003","journal-title":"Biopolymers"},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"161","DOI":"10.1016\/j.jmgm.2008.04.003","volume":"27","author":"Taminau J.","year":"2008","journal-title":"J. Mol. Graphics Modell."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci300601q","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,16]],"date-time":"2023-04-16T10:42:32Z","timestamp":1681641752000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci300601q"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2013,7,25]]},"references-count":34,"journal-issue":{"issue":"8","published-print":{"date-parts":[[2013,8,26]]}},"alternative-id":["10.1021\/ci300601q"],"URL":"https:\/\/doi.org\/10.1021\/ci300601q","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2013,7,25]]}}}