{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,12,15]],"date-time":"2025-12-15T13:44:58Z","timestamp":1765806298293},"reference-count":46,"publisher":"American Chemical Society (ACS)","issue":"1","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Comput. Sci."],"published-print":{"date-parts":[[1996,1,1]]},"DOI":"10.1021\/ci9502055","type":"journal-article","created":{"date-parts":[[2002,7,26]],"date-time":"2002-07-26T05:03:09Z","timestamp":1027659789000},"page":"137-145","source":"Crossref","is-referenced-by-count":19,"title":["MOLMAKER:\u2009 De Novo Generation of 3D Databases for Use in Drug Design"],"prefix":"10.1021","volume":"36","author":[{"given":"David E.","family":"Clark","sequence":"first","affiliation":[{"name":"Proteus Molecular Design Ltd., Proteus House, Lyme Green Business Park, Macclesfield, Cheshire, SK11 0JL, United Kingdom"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mike A.","family":"Firth","sequence":"additional","affiliation":[{"name":"Proteus Molecular Design Ltd., Proteus House, Lyme Green Business Park, Macclesfield, Cheshire, SK11 0JL, United Kingdom"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Christopher W.","family":"Murray","sequence":"additional","affiliation":[{"name":"Proteus Molecular Design Ltd., Proteus House, Lyme Green Business Park, Macclesfield, Cheshire, SK11 0JL, United Kingdom"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[1996,1,24]]},"reference":[{"key":"ci9502055b00001\/ci9502055b00001_1","first-page":"511","volume":"21","author":"Bures M. G.","year":"1994","journal-title":"Topics in Stereochemistry"},{"key":"ci9502055b00002\/ci9502055b00002_1","doi-asserted-by":"crossref","first-page":"316","DOI":"10.1021\/ci00067a016","volume":"30","author":"Murrall N. W.","year":"1990","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci9502055b00003\/ci9502055b00003_1","doi-asserted-by":"crossref","first-page":"206","DOI":"10.1021\/ci00017a026","volume":"34","author":"Clark D. E.","year":"1994","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci9502055b00004\/ci9502055b00004_1","doi-asserted-by":"crossref","first-page":"196","DOI":"10.1021\/ci00017a025","volume":"34","author":"Hurst T.","year":"1994","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci9502055b00005\/ci9502055b00005_1","doi-asserted-by":"crossref","first-page":"189","DOI":"10.1021\/ci00017a024","volume":"34","author":"Moock T. E.","year":"1994","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci9502055b00006\/ci9502055b00006_1","first-page":"162","volume-title":"Molecular Similarity in Drug Design","author":"Mason J. S.","year":"1995"},{"key":"ci9502055b00007\/ci9502055b00007_1","doi-asserted-by":"crossref","first-page":"384","DOI":"10.1126\/science.8278813","volume":"263","author":"Lam P. Y. S.","year":"1994","journal-title":"Science"},{"key":"ci9502055b00008\/ci9502055b00008_1","first-page":"4489","volume":"37","author":"Wang S.","year":"1994","journal-title":"J. Med. Chem."},{"key":"ci9502055b00009\/ci9502055b00009_1","doi-asserted-by":"crossref","first-page":"2741","DOI":"10.1021\/jm00014a024","volume":"38","author":"Kiyama R.","year":"1995","journal-title":"J. Med. Chem."},{"key":"ci9502055b00010\/ci9502055b00010_1","volume-title":"Concord: A Program for the Rapid Generation of High Quality Approximate 3-Dimensional Molecular Structures","author":"Rusinko III, A","year":"1988"},{"key":"ci9502055b00012\/ci9502055b00012_1","doi-asserted-by":"crossref","first-page":"204","DOI":"10.1021\/ci00002a004","volume":"31","author":"Allen F. H.","year":"1991","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci9502055b00013\/ci9502055b00013_1","doi-asserted-by":"crossref","first-page":"1251","DOI":"10.1021\/jm00035a001","volume":"37","author":"Gallop M. A.","year":"1994","journal-title":"J. Med. Chem."},{"key":"ci9502055b00014\/ci9502055b00014_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":"ci9502055b00015\/ci9502055b00015_1","first-page":"4","volume":"1","author":"van Drie J. H.","year":"1995","journal-title":"Network Science (http:\/\/www.awod.com\/netsci)"},{"key":"ci9502055b00016\/ci9502055b00016_1","doi-asserted-by":"crossref","first-page":"530","DOI":"10.1021\/ci00004a016","volume":"31","author":"Nilakantan R.","year":"1991","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci9502055b00017\/ci9502055b00017_1","first-page":"326","volume-title":"Chemical Structures 2. The International Language of Chemistry","author":"Martin Y. C.","year":"1993"},{"key":"ci9502055b00018\/ci9502055b00018_1","first-page":"38","volume":"28","author":"Weininger D. SMILES","year":"1988","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci9502055b00019\/ci9502055b00019_1","first-page":"2154","volume":"35","author":"Martin Y. C.","year":"1992","journal-title":"J. Med. Chem."},{"key":"ci9502055b00020\/ci9502055b00020_1","first-page":"25","volume":"3","author":"Martin Y. C","year":"1990","journal-title":"Tetrahedron Comput. Methodol."},{"key":"ci9502055b00021\/ci9502055b00021_1","first-page":"86","volume":"9","author":"Ho C. M. W.","year":"1995","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ci9502055b00022\/ci9502055b00022_1","first-page":"202","volume":"9","author":"Glen R. C.","year":"1995","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ci9502055b00023\/ci9502055b00023_1","doi-asserted-by":"crossref","first-page":"66","DOI":"10.1007\/BF00124349","volume":"8","author":"Lauri G.","year":"1994","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ci9502055b00024\/ci9502055b00024_1","doi-asserted-by":"crossref","first-page":"250","DOI":"10.1126\/science.8211144","volume":"262","author":"Alberg D. G.","year":"1993","journal-title":"Science"},{"key":"ci9502055b00025\/ci9502055b00025_1","doi-asserted-by":"crossref","first-page":"407","DOI":"10.1016\/1074-5521(95)90221-X","volume":"2","author":"Weiss G. A.","year":"1995","journal-title":"Chem. Biol."},{"key":"ci9502055b00026\/ci9502055b00026_1","first-page":"1188","volume":"34","author":"Hall L. H.","year":"1994","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci9502055b00027\/ci9502055b00027_1","first-page":"147","volume":"33","author":"Kier L. B.","year":"1993","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci9502055b00028\/ci9502055b00028_1","first-page":"152","volume":"33","author":"Hall L. H.","year":"1993","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci9502055b00029\/ci9502055b00029_1","first-page":"603","volume":"33","author":"Hall L. H.","year":"1993","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci9502055b00030\/ci9502055b00030_1","doi-asserted-by":"crossref","first-page":"196","DOI":"10.1007\/BF01164843","volume":"9","author":"Kvasni\u010dka V.","year":"1992","journal-title":"J. Math. Chem."},{"key":"ci9502055b00031\/ci9502055b00031_1","doi-asserted-by":"crossref","first-page":"181","DOI":"10.1016\/0169-7439(93)80054-L","volume":"18","author":"Kvasni\u010dka V.","year":"1993","journal-title":"Chemom. Intell. Lab. Syst."},{"key":"ci9502055b00032\/ci9502055b00032_1","doi-asserted-by":"crossref","first-page":"774","DOI":"10.1135\/cccc19930754","volume":"58","author":"Posp\u00edchal J.","year":"1993","journal-title":"Collect Czech. Chem. Commun."},{"key":"ci9502055b00033\/ci9502055b00033_1","first-page":"1145","volume":"34","author":"Yang Y.-Q.","year":"1994","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci9502055b00036\/ci9502055b00036_1","doi-asserted-by":"crossref","first-page":"255","DOI":"10.1021\/ci00007a012","volume":"32","author":"Dalby A.","year":"1992","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci9502055b00037\/ci9502055b00037_1","unstructured":"Pearlman, R. S. 3D Molecular Structures:\u2009 Generation and Use in 3D Searching. In3D QSAR in Drug Design: Theory, Method and Applications; Kubinyi, H., Ed.; ESCOM:\u2009 Leiden, 1993; pp 41\u221279."},{"key":"ci9502055b00038\/ci9502055b00038_1","doi-asserted-by":"crossref","first-page":"925","DOI":"10.1021\/ci00016a013","volume":"33","author":"Ricketts E. M.","year":"1993","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci9502055b00039\/ci9502055b00039_1","doi-asserted-by":"crossref","first-page":"1008","DOI":"10.1021\/ci00020a039","volume":"34","author":"Sadowski J.","year":"1994","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci9502055b00041\/ci9502055b00041_1","doi-asserted-by":"crossref","first-page":"78","DOI":"10.1016\/0079-6107(91)90007-F","volume":"56","author":"Havel T. F","year":"1991","journal-title":"Prog. Biophys. Mol. Biol."},{"key":"ci9502055b00042\/ci9502055b00042_1","unstructured":"SketchandConverter User Guide,Version 2.3; Biosym\/MSI:\u2009 San Diego, CA, 1993."},{"key":"ci9502055b00044\/ci9502055b00044_1","unstructured":"Search\u2009\u2009Compare,Version 2.3; Biosym\/MSI:\u2009 San Diego, CA, 1993."},{"key":"ci9502055b00045\/ci9502055b00045_1","unstructured":"As implemented in the programDiscover, Version 2.9.5; Biosym\/MSI:\u2009 San Diego, CA, 1993."},{"key":"ci9502055b00046\/ci9502055b00046_1","doi-asserted-by":"crossref","first-page":"172","DOI":"10.1021\/ci00063a006","volume":"29","author":"Viswanadhan V. N.","year":"1989","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci9502055b00047\/ci9502055b00047_1","first-page":"44","volume":"2","author":"Ke H.","year":"1994","journal-title":"Structure"},{"key":"ci9502055b00048\/ci9502055b00048_1","doi-asserted-by":"crossref","first-page":"6583","DOI":"10.1021\/bi00240a030","volume":"30","author":"Fesik S. W.","year":"1991","journal-title":"Biochemistry"},{"key":"ci9502055b00050\/ci9502055b00050_1","volume-title":"13th Annual Conference of the Molecular Graphics Society","author":"Johnson A. P.","year":"1994"},{"key":"ci9502055b00051\/ci9502055b00051_1","first-page":"113","volume":"49","author":"Grund R","year":"1995","journal-title":"Bayreuther Mathematische Schriften"},{"key":"ci9502055b00052\/ci9502055b00052_1","first-page":"19","volume-title":"Algorithmic Investigations in Combinatories","author":"Faradzhev I.","year":"1978"}],"container-title":["Journal of Chemical Information and Computer Sciences"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci9502055","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,3,24]],"date-time":"2023-03-24T01:25:33Z","timestamp":1679621133000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci9502055"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1996,1,1]]},"references-count":46,"journal-issue":{"issue":"1","published-print":{"date-parts":[[1996,1,1]]}},"alternative-id":["10.1021\/ci9502055"],"URL":"https:\/\/doi.org\/10.1021\/ci9502055","relation":{},"ISSN":["0095-2338","1520-5142"],"issn-type":[{"value":"0095-2338","type":"print"},{"value":"1520-5142","type":"electronic"}],"subject":[],"published":{"date-parts":[[1996,1,1]]}}}