{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,5]],"date-time":"2025-11-05T06:07:42Z","timestamp":1762322862694},"reference-count":20,"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":[[2003,3,1]]},"DOI":"10.1021\/ci025631m","type":"journal-article","created":{"date-parts":[[2003,3,24]],"date-time":"2003-03-24T14:54:26Z","timestamp":1048517666000},"page":"475-484","source":"Crossref","is-referenced-by-count":36,"title":["A Geodesic Framework for Analyzing Molecular Similarities"],"prefix":"10.1021","volume":"43","author":[{"given":"Dimitris K.","family":"Agrafiotis","sequence":"first","affiliation":[{"name":"3-Dimensional Pharmaceuticals, Inc., 665 Stockton Drive, Exton, Pennsylvania 19341"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Huafeng","family":"Xu","sequence":"additional","affiliation":[{"name":"3-Dimensional Pharmaceuticals, Inc., 665 Stockton Drive, Exton, Pennsylvania 19341"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2003,2,1]]},"reference":[{"key":"ci025631mb00001\/ci025631mb00001_1","volume-title":"Concepts and applications of molecular similarity","author":"Johnson M. A. G. M. M.","year":"1990"},{"key":"ci025631mb00002\/ci025631mb00002_1","doi-asserted-by":"crossref","DOI":"10.1515\/9781400874668","volume-title":"Adaptive Control Processes","author":"Bellman R. E.","year":"1961"},{"key":"ci025631mb00003\/ci025631mb00003_1","doi-asserted-by":"crossref","first-page":"346","DOI":"10.1038\/nrd791","volume":"1","author":"Agrafiotis D. K.","year":"2002","journal-title":"Nature Rev. Drug Discovery"},{"key":"ci025631mb00004\/ci025631mb00004_1","volume-title":"Data analysis for chemists:\u2009 applications to QSAR and chemical product design","author":"Livingstone D.","year":"1996"},{"key":"ci025631mb00005\/ci025631mb00005_1","doi-asserted-by":"crossref","first-page":"520","DOI":"10.1037\/h0070888","volume":"24","author":"Hotelling H","year":"1933","journal-title":"J. Educ. Psychol."},{"key":"ci025631mb00006\/ci025631mb00006_1","doi-asserted-by":"crossref","DOI":"10.1007\/978-1-4757-2711-1","volume-title":"Modern Multidimensional Scaling:\u2009 Theory and Applications","author":"Borg I.","year":"1997"},{"key":"ci025631mb00007\/ci025631mb00007_1","first-page":"592","volume-title":"International Symposium on Multivariate Analysis","author":"Shepard R. N.","year":"1965"},{"key":"ci025631mb00008\/ci025631mb00008_1","doi-asserted-by":"crossref","first-page":"522","DOI":"10.1016\/0893-6080(94)90109-0","volume":"7","author":"Martinetz T.","year":"1994","journal-title":"Neural Networks"},{"key":"ci025631mb00009\/ci025631mb00009_1","first-page":"409","volume":"18","author":"Sammon J. W","year":"1969","journal-title":"IEEE Trans. Computers"},{"key":"ci025631mb00010\/ci025631mb00010_1","doi-asserted-by":"crossref","first-page":"2323","DOI":"10.1126\/science.290.5500.2319","volume":"290","author":"Tenenbaum J., B.","year":"2000","journal-title":"Science"},{"key":"ci025631mb00011\/ci025631mb00011_1","doi-asserted-by":"crossref","first-page":"2326","DOI":"10.1126\/science.290.5500.2323","volume":"290","author":"Roweis S., T.","year":"2000","journal-title":"Science"},{"key":"ci025631mb00012\/ci025631mb00012_1","doi-asserted-by":"crossref","first-page":"15872","DOI":"10.1073\/pnas.242424399","volume":"99","author":"Agrafiotis D. K.","year":"2002","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ci025631mb00013\/ci025631mb00013_1","volume-title":"Introduction to Algorithms","author":"Cormen T. H.","year":"1990"},{"key":"ci025631mb00014\/ci025631mb00014_1","unstructured":"Xu, H.; Izrailev, S.; Agrafiotis, D. K. Conformational sampling by self-organization. submitted."},{"key":"ci025631mb00015\/ci025631mb00015_1","volume-title":"Distance geometry and molecular conformation","author":"Crippen G. M.","year":"1988"},{"key":"ci025631mb00016\/ci025631mb00016_1","doi-asserted-by":"crossref","unstructured":"Hall, L. H.; Kier, L. B. The molecular connectivity chi indexes and kappa shape indexes in structure\u2212property modeling.Reviews in ComputationalChemistry; VCH Publishers:\u2009 New York, 1991; pp 367\u2212422.","DOI":"10.1002\/9780470125793.ch9"},{"key":"ci025631mb00017\/ci025631mb00017_1","volume-title":"System and method for automatically generating chemical compounds with desired properties","author":"Agrafiotis D. K.","year":"1995"},{"key":"ci025631mb00018\/ci025631mb00018_1","first-page":"411","volume":"18","author":"Clark R. D.","year":"2000","journal-title":"J. Mol. Graphics Modelling"},{"key":"ci025631mb00019\/ci025631mb00019_1","doi-asserted-by":"crossref","first-page":"584","DOI":"10.1021\/ci9501047","volume":"36","author":"Brown R. D.","year":"1996","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci025631mb00020\/ci025631mb00020_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."}],"container-title":["Journal of Chemical Information and Computer Sciences"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci025631m","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,3,15]],"date-time":"2023-03-15T02:00:10Z","timestamp":1678845610000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci025631m"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2003,2,1]]},"references-count":20,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2003,3,1]]}},"alternative-id":["10.1021\/ci025631m"],"URL":"https:\/\/doi.org\/10.1021\/ci025631m","relation":{},"ISSN":["0095-2338","1520-5142"],"issn-type":[{"value":"0095-2338","type":"print"},{"value":"1520-5142","type":"electronic"}],"subject":[],"published":{"date-parts":[[2003,2,1]]}}}