{"id":"https://openalex.org/W2072598797","doi":"https://doi.org/10.1007/bf00123998","title":"Enhancing the diversity of a corporate database using chemical database clustering and analysis","display_name":"Enhancing the diversity of a corporate database using chemical database clustering and analysis","publication_year":1995,"publication_date":"1995-10-01","ids":{"openalex":"https://openalex.org/W2072598797","doi":"https://doi.org/10.1007/bf00123998","mag":"2072598797","pmid":"https://pubmed.ncbi.nlm.nih.gov/8594158"},"language":"en","primary_location":{"id":"doi:10.1007/bf00123998","is_oa":false,"landing_page_url":"https://doi.org/10.1007/bf00123998","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","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/A5065846165","display_name":"Norah E. Shemetulskis","orcid":null},"institutions":[{"id":"https://openalex.org/I129331126","display_name":"Gaertner (United States)","ror":"https://ror.org/05ygj1d20","country_code":"US","type":"company","lineage":["https://openalex.org/I129331126"]},{"id":"https://openalex.org/I4210135967","display_name":"Time Warner (United States)","ror":"https://ror.org/045xx6g59","country_code":"US","type":"company","lineage":["https://openalex.org/I4210135967"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Norah E. Shemetulskis","raw_affiliation_strings":["Parke-Davis Pharmaceutical Research Division, Warner Lambert Company, Ann Arbor, MI 48105, USA","Parke-Davis Pharmaceutical Research Division, Warner Lambert Company, Ann Arbor, U.S.A"],"affiliations":[{"raw_affiliation_string":"Parke-Davis Pharmaceutical Research Division, Warner Lambert Company, Ann Arbor, MI 48105, USA","institution_ids":["https://openalex.org/I4210135967"]},{"raw_affiliation_string":"Parke-Davis Pharmaceutical Research Division, Warner Lambert Company, Ann Arbor, U.S.A","institution_ids":["https://openalex.org/I129331126"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5076900353","display_name":"James B. Dunbar","orcid":"https://orcid.org/0009-0008-6752-1421"},"institutions":[{"id":"https://openalex.org/I129331126","display_name":"Gaertner (United States)","ror":"https://ror.org/05ygj1d20","country_code":"US","type":"company","lineage":["https://openalex.org/I129331126"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"James B. Dunbar","raw_affiliation_strings":["Parke-Davis Pharmaceutical Research Division, Warner Lambert Company, 2800 Plymouth Road, 48105, Ann Arbor, MI, U.S.A","Parke-Davis Pharmaceutical Research Division, Warner Lambert Company, Ann Arbor, U.S.A"],"affiliations":[{"raw_affiliation_string":"Parke-Davis Pharmaceutical Research Division, Warner Lambert Company, 2800 Plymouth Road, 48105, Ann Arbor, MI, U.S.A","institution_ids":["https://openalex.org/I129331126"]},{"raw_affiliation_string":"Parke-Davis Pharmaceutical Research Division, Warner Lambert Company, Ann Arbor, U.S.A","institution_ids":["https://openalex.org/I129331126"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5081483497","display_name":"Bonnie W. Dunbar","orcid":null},"institutions":[{"id":"https://openalex.org/I129331126","display_name":"Gaertner (United States)","ror":"https://ror.org/05ygj1d20","country_code":"US","type":"company","lineage":["https://openalex.org/I129331126"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Bonnie W. Dunbar","raw_affiliation_strings":["Parke-Davis Pharmaceutical Research Division, Warner Lambert Company, 2800 Plymouth Road, 48105, Ann Arbor, MI, U.S.A","Parke-Davis Pharmaceutical Research Division, Warner Lambert Company, Ann Arbor, U.S.A"],"affiliations":[{"raw_affiliation_string":"Parke-Davis Pharmaceutical Research Division, Warner Lambert Company, 2800 Plymouth Road, 48105, Ann Arbor, MI, U.S.A","institution_ids":["https://openalex.org/I129331126"]},{"raw_affiliation_string":"Parke-Davis Pharmaceutical Research Division, Warner Lambert Company, Ann Arbor, U.S.A","institution_ids":["https://openalex.org/I129331126"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5085400497","display_name":"D.W. Moreland","orcid":null},"institutions":[{"id":"https://openalex.org/I129331126","display_name":"Gaertner (United States)","ror":"https://ror.org/05ygj1d20","country_code":"US","type":"company","lineage":["https://openalex.org/I129331126"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"David W. Moreland","raw_affiliation_strings":["Parke-Davis Pharmaceutical Research Division, Warner Lambert Company, 2800 Plymouth Road, 48105, Ann Arbor, MI, U.S.A","Parke-Davis Pharmaceutical Research Division, Warner Lambert Company, Ann Arbor, U.S.A"],"affiliations":[{"raw_affiliation_string":"Parke-Davis Pharmaceutical Research Division, Warner Lambert Company, 2800 Plymouth Road, 48105, Ann Arbor, MI, U.S.A","institution_ids":["https://openalex.org/I129331126"]},{"raw_affiliation_string":"Parke-Davis Pharmaceutical Research Division, Warner Lambert Company, Ann Arbor, U.S.A","institution_ids":["https://openalex.org/I129331126"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5070728610","display_name":"Christine Humblet","orcid":"https://orcid.org/0000-0003-1775-4426"},"institutions":[{"id":"https://openalex.org/I129331126","display_name":"Gaertner (United States)","ror":"https://ror.org/05ygj1d20","country_code":"US","type":"company","lineage":["https://openalex.org/I129331126"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Christine Humblet","raw_affiliation_strings":["Parke-Davis Pharmaceutical Research Division, Warner Lambert Company, 2800 Plymouth Road, 48105, Ann Arbor, MI, U.S.A","Parke-Davis Pharmaceutical Research Division, Warner Lambert Company, Ann Arbor, U.S.A"],"affiliations":[{"raw_affiliation_string":"Parke-Davis Pharmaceutical Research Division, Warner Lambert Company, 2800 Plymouth Road, 48105, Ann Arbor, MI, U.S.A","institution_ids":["https://openalex.org/I129331126"]},{"raw_affiliation_string":"Parke-Davis Pharmaceutical Research Division, Warner Lambert Company, Ann Arbor, U.S.A","institution_ids":["https://openalex.org/I129331126"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5065846165"],"corresponding_institution_ids":["https://openalex.org/I129331126","https://openalex.org/I4210135967"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":16.1051,"has_fulltext":false,"cited_by_count":100,"citation_normalized_percentile":{"value":0.99621433,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":"9","issue":"5","first_page":"407","last_page":"416"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998999834060669,"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":0.9998999834060669,"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/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9980999827384949,"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"}},{"id":"https://openalex.org/T12748","display_name":"Molecular spectroscopy and chirality","score":0.9837999939918518,"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/database","display_name":"Database","score":0.7911124229431152},{"id":"https://openalex.org/keywords/partition","display_name":"Partition (number theory)","score":0.6116964221000671},{"id":"https://openalex.org/keywords/cluster-analysis","display_name":"Cluster analysis","score":0.6027874946594238},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5506118535995483},{"id":"https://openalex.org/keywords/database-design","display_name":"Database design","score":0.5007576942443848},{"id":"https://openalex.org/keywords/chemical-database","display_name":"Chemical database","score":0.482810378074646},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.4042598307132721},{"id":"https://openalex.org/keywords/information-retrieval","display_name":"Information retrieval","score":0.3527058959007263},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.1794673502445221},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.10646435618400574},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.10643434524536133}],"concepts":[{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.7911124229431152},{"id":"https://openalex.org/C42812","wikidata":"https://www.wikidata.org/wiki/Q1082910","display_name":"Partition (number theory)","level":2,"score":0.6116964221000671},{"id":"https://openalex.org/C73555534","wikidata":"https://www.wikidata.org/wiki/Q622825","display_name":"Cluster analysis","level":2,"score":0.6027874946594238},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5506118535995483},{"id":"https://openalex.org/C148840519","wikidata":"https://www.wikidata.org/wiki/Q1049878","display_name":"Database design","level":2,"score":0.5007576942443848},{"id":"https://openalex.org/C203394866","wikidata":"https://www.wikidata.org/wiki/Q2881060","display_name":"Chemical database","level":2,"score":0.482810378074646},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.4042598307132721},{"id":"https://openalex.org/C23123220","wikidata":"https://www.wikidata.org/wiki/Q816826","display_name":"Information retrieval","level":1,"score":0.3527058959007263},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.1794673502445221},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.10646435618400574},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.10643434524536133},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.0},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D002627","descriptor_name":"Chemistry, Physical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002627","descriptor_name":"Chemistry, Physical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002627","descriptor_name":"Chemistry, Physical","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":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016000","descriptor_name":"Cluster Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016000","descriptor_name":"Cluster Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016000","descriptor_name":"Cluster Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D017076","descriptor_name":"Computer-Aided Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017076","descriptor_name":"Computer-Aided Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017076","descriptor_name":"Computer-Aided Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055598","descriptor_name":"Chemical Phenomena","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055598","descriptor_name":"Chemical Phenomena","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055598","descriptor_name":"Chemical Phenomena","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1007/bf00123998","is_oa":false,"landing_page_url":"https://doi.org/10.1007/bf00123998","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:8594158","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/8594158","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 computer-aided molecular design","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":9,"referenced_works":["https://openalex.org/W1975147762","https://openalex.org/W1977429173","https://openalex.org/W1985067238","https://openalex.org/W2000376564","https://openalex.org/W2032726880","https://openalex.org/W2069530087","https://openalex.org/W2081206009","https://openalex.org/W2089923519","https://openalex.org/W6602610289"],"related_works":["https://openalex.org/W584886505","https://openalex.org/W2366660644","https://openalex.org/W3184093474","https://openalex.org/W2371449207","https://openalex.org/W2087762413","https://openalex.org/W3162115094","https://openalex.org/W1568401719","https://openalex.org/W2188578519","https://openalex.org/W3130673957","https://openalex.org/W630074038"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":2},{"year":2021,"cited_by_count":3},{"year":2020,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":3},{"year":2013,"cited_by_count":1}],"updated_date":"2026-01-13T01:12:25.745995","created_date":"2025-10-10T00:00:00"}
