{"id":"https://openalex.org/W2108999587","doi":"https://doi.org/10.1021/ci060074f","title":"Explicit Diversity Index (EDI):\u2009 A Novel Measure for Assessing the Diversity of Compound Databases","display_name":"Explicit Diversity Index (EDI):\u2009 A Novel Measure for Assessing the Diversity of Compound Databases","publication_year":2006,"publication_date":"2006-08-17","ids":{"openalex":"https://openalex.org/W2108999587","doi":"https://doi.org/10.1021/ci060074f","mag":"2108999587","pmid":"https://pubmed.ncbi.nlm.nih.gov/16995719"},"language":"en","primary_location":{"id":"doi:10.1021/ci060074f","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci060074f","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5076741067","display_name":"\u00c1kos Papp","orcid":null},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"\u00c1kos Papp","raw_affiliation_strings":["AMRI Hungary, Z\u00e1hony u. 7, H-1031 Budapest, Hungary, ComGrid Ltd., Z\u00e1hony u. 7, H-1031 Budapest, Hungary, and CompuDrug International, Inc., 115 Morgan Drive, Sedona, Arizona 86351"],"affiliations":[{"raw_affiliation_string":"AMRI Hungary, Z\u00e1hony u. 7, H-1031 Budapest, Hungary, ComGrid Ltd., Z\u00e1hony u. 7, H-1031 Budapest, Hungary, and CompuDrug International, Inc., 115 Morgan Drive, Sedona, Arizona 86351","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5070912884","display_name":"Anna Guly\u00e1s\u2010Forr\u00f3","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Anna Guly\u00e1s-Forr\u00f3","raw_affiliation_strings":["AMRI Hungary, Z\u00e1hony u. 7, H-1031 Budapest, Hungary, ComGrid Ltd., Z\u00e1hony u. 7, H-1031 Budapest, Hungary, and CompuDrug International, Inc., 115 Morgan Drive, Sedona, Arizona 86351"],"affiliations":[{"raw_affiliation_string":"AMRI Hungary, Z\u00e1hony u. 7, H-1031 Budapest, Hungary, ComGrid Ltd., Z\u00e1hony u. 7, H-1031 Budapest, Hungary, and CompuDrug International, Inc., 115 Morgan Drive, Sedona, Arizona 86351","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5028125781","display_name":"Zsolt Guly\u00e1s","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Zsolt Guly\u00e1s","raw_affiliation_strings":["AMRI Hungary, Z\u00e1hony u. 7, H-1031 Budapest, Hungary, ComGrid Ltd., Z\u00e1hony u. 7, H-1031 Budapest, Hungary, and CompuDrug International, Inc., 115 Morgan Drive, Sedona, Arizona 86351"],"affiliations":[{"raw_affiliation_string":"AMRI Hungary, Z\u00e1hony u. 7, H-1031 Budapest, Hungary, ComGrid Ltd., Z\u00e1hony u. 7, H-1031 Budapest, Hungary, and CompuDrug International, Inc., 115 Morgan Drive, Sedona, Arizona 86351","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5051466585","display_name":"Gy\u00f6rgy Dorm\u00e1n","orcid":"https://orcid.org/0000-0001-7702-2206"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Gy\u00f6rgy Dorm\u00e1n","raw_affiliation_strings":["AMRI Hungary, Z\u00e1hony u. 7, H-1031 Budapest, Hungary, ComGrid Ltd., Z\u00e1hony u. 7, H-1031 Budapest, Hungary, and CompuDrug International, Inc., 115 Morgan Drive, Sedona, Arizona 86351"],"affiliations":[{"raw_affiliation_string":"AMRI Hungary, Z\u00e1hony u. 7, H-1031 Budapest, Hungary, ComGrid Ltd., Z\u00e1hony u. 7, H-1031 Budapest, Hungary, and CompuDrug International, Inc., 115 Morgan Drive, Sedona, Arizona 86351","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5047718125","display_name":"L\u00e1szl\u00f3 \u00dcrge","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"L\u00e1szl\u00f3 \u00dcrge","raw_affiliation_strings":["AMRI Hungary, Z\u00e1hony u. 7, H-1031 Budapest, Hungary, ComGrid Ltd., Z\u00e1hony u. 7, H-1031 Budapest, Hungary, and CompuDrug International, Inc., 115 Morgan Drive, Sedona, Arizona 86351"],"affiliations":[{"raw_affiliation_string":"AMRI Hungary, Z\u00e1hony u. 7, H-1031 Budapest, Hungary, ComGrid Ltd., Z\u00e1hony u. 7, H-1031 Budapest, Hungary, and CompuDrug International, Inc., 115 Morgan Drive, Sedona, Arizona 86351","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5034742257","display_name":"Feren\u00e7 Darvas","orcid":"https://orcid.org/0000-0002-3478-5470"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Ferenc Darvas","raw_affiliation_strings":["AMRI Hungary, Z\u00e1hony u. 7, H-1031 Budapest, Hungary, ComGrid Ltd., Z\u00e1hony u. 7, H-1031 Budapest, Hungary, and CompuDrug International, Inc., 115 Morgan Drive, Sedona, Arizona 86351"],"affiliations":[{"raw_affiliation_string":"AMRI Hungary, Z\u00e1hony u. 7, H-1031 Budapest, Hungary, ComGrid Ltd., Z\u00e1hony u. 7, H-1031 Budapest, Hungary, and CompuDrug International, Inc., 115 Morgan Drive, Sedona, Arizona 86351","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5076741067"],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.6541,"has_fulltext":false,"cited_by_count":10,"citation_normalized_percentile":{"value":0.70906304,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"46","issue":"5","first_page":"1898","last_page":"1904"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9980000257492065,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9980000257492065,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10911","display_name":"Chemical Synthesis and Analysis","score":0.994700014591217,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9904999732971191,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/diversity","display_name":"Diversity (politics)","score":0.790561318397522},{"id":"https://openalex.org/keywords/measure","display_name":"Measure (data warehouse)","score":0.7680093050003052},{"id":"https://openalex.org/keywords/index","display_name":"Index (typography)","score":0.6242716312408447},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5917114615440369},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.49319690465927124},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.41770148277282715},{"id":"https://openalex.org/keywords/information-retrieval","display_name":"Information retrieval","score":0.35500630736351013},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.09762376546859741}],"concepts":[{"id":"https://openalex.org/C2781316041","wikidata":"https://www.wikidata.org/wiki/Q1230584","display_name":"Diversity (politics)","level":2,"score":0.790561318397522},{"id":"https://openalex.org/C2780009758","wikidata":"https://www.wikidata.org/wiki/Q6804172","display_name":"Measure (data warehouse)","level":2,"score":0.7680093050003052},{"id":"https://openalex.org/C2777382242","wikidata":"https://www.wikidata.org/wiki/Q6017816","display_name":"Index (typography)","level":2,"score":0.6242716312408447},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5917114615440369},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.49319690465927124},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.41770148277282715},{"id":"https://openalex.org/C23123220","wikidata":"https://www.wikidata.org/wiki/Q816826","display_name":"Information retrieval","level":1,"score":0.35500630736351013},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.09762376546859741},{"id":"https://openalex.org/C19165224","wikidata":"https://www.wikidata.org/wiki/Q23404","display_name":"Anthropology","level":1,"score":0.0},{"id":"https://openalex.org/C144024400","wikidata":"https://www.wikidata.org/wiki/Q21201","display_name":"Sociology","level":0,"score":0.0}],"mesh":[{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003628","descriptor_name":"Database Management Systems","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003628","descriptor_name":"Database Management Systems","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003628","descriptor_name":"Database Management Systems","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/ci060074f","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci060074f","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:16995719","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/16995719","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of chemical information and modeling","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Peace, Justice and strong institutions","score":0.800000011920929,"id":"https://metadata.un.org/sdg/16"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":28,"referenced_works":["https://openalex.org/W33089921","https://openalex.org/W1592238003","https://openalex.org/W1592966248","https://openalex.org/W1594341127","https://openalex.org/W1967566023","https://openalex.org/W1976451754","https://openalex.org/W1997429492","https://openalex.org/W1999414126","https://openalex.org/W2002009218","https://openalex.org/W2003932708","https://openalex.org/W2007602613","https://openalex.org/W2013727775","https://openalex.org/W2021083597","https://openalex.org/W2033974703","https://openalex.org/W2046737049","https://openalex.org/W2066345214","https://openalex.org/W2070909050","https://openalex.org/W2071678676","https://openalex.org/W2071840184","https://openalex.org/W2077341638","https://openalex.org/W2078115945","https://openalex.org/W2100005623","https://openalex.org/W2155289933","https://openalex.org/W2197008132","https://openalex.org/W2199408702","https://openalex.org/W2486095760","https://openalex.org/W2949243165","https://openalex.org/W4233095404"],"related_works":["https://openalex.org/W4255837520","https://openalex.org/W2387011115","https://openalex.org/W4234808182","https://openalex.org/W4255628145","https://openalex.org/W2382043075","https://openalex.org/W2809151339","https://openalex.org/W2216913934","https://openalex.org/W2360673138","https://openalex.org/W2809370583","https://openalex.org/W4301447905"],"abstract_inverted_index":{"A":[0],"novel":[1],"diversity":[2,68],"assessment":[3,69],"method,":[4],"the":[5,36,40,50,67],"Explicit":[6],"Diversity":[7],"Index":[8],"(EDI),":[9],"is":[10],"introduced":[11],"for":[12],"druglike":[13],"molecules.":[14],"EDI":[15,65],"combines":[16],"structural":[17],"and":[18,22,45],"synthesis-related":[19],"dissimilarity":[20],"values":[21],"expresses":[23],"them":[24],"as":[25],"a":[26],"single":[27],"number.":[28],"As":[29],"an":[30],"easily":[31],"interpretable":[32],"measure,":[33],"it":[34,46],"facilitates":[35],"decision":[37],"making":[38],"in":[39,49],"design":[41],"of":[42,52,60,70],"combinatorial":[43],"libraries,":[44],"might":[47],"assist":[48],"comparison":[51],"compound":[53,74],"sets":[54],"provided":[55],"by":[56],"different":[57],"manufacturers.":[58],"Because":[59],"its":[61],"rapid":[62],"calculation":[63],"algorithm,":[64],"enables":[66],"in-house":[71],"or":[72],"commercial":[73],"collections.":[75]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2017,"cited_by_count":2},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}