{"id":"https://openalex.org/W2003932708","doi":"https://doi.org/10.1021/ci000150t","title":"Comparison of the NCI Open Database with Seven Large Chemical Structural Databases","display_name":"Comparison of the NCI Open Database with Seven Large Chemical Structural Databases","publication_year":2001,"publication_date":"2001-05-01","ids":{"openalex":"https://openalex.org/W2003932708","doi":"https://doi.org/10.1021/ci000150t","mag":"2003932708","pmid":"https://pubmed.ncbi.nlm.nih.gov/11410049"},"language":"en","primary_location":{"id":"doi:10.1021/ci000150t","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci000150t","pdf_url":null,"source":{"id":"https://openalex.org/S171559003","display_name":"Journal of Chemical Information and Computer Sciences","issn_l":"0095-2338","issn":["0095-2338","1520-5142"],"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 Computer Sciences","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/A5085300960","display_name":"Johannes Voigt","orcid":"https://orcid.org/0009-0000-3912-8595"},"institutions":[{"id":"https://openalex.org/I4390039356","display_name":"Georgetown Lombardi Comprehensive Cancer Center","ror":"https://ror.org/035zrb927","country_code":null,"type":"healthcare","lineage":["https://openalex.org/I184565670","https://openalex.org/I4390039356"]},{"id":"https://openalex.org/I4210149717","display_name":"Center for Cancer Research","ror":"https://ror.org/05bjen692","country_code":"US","type":"facility","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238","https://openalex.org/I4210140884","https://openalex.org/I4210149717"]},{"id":"https://openalex.org/I184565670","display_name":"Georgetown University","ror":"https://ror.org/05vzafd60","country_code":"US","type":"education","lineage":["https://openalex.org/I184565670"]},{"id":"https://openalex.org/I4210140884","display_name":"National Cancer Institute","ror":"https://ror.org/040gcmg81","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238","https://openalex.org/I4210140884"]},{"id":"https://openalex.org/I1299303238","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238"]},{"id":"https://openalex.org/I2799903593","display_name":"Georgetown University Medical Center","ror":"https://ror.org/00hjz7x27","country_code":"US","type":"healthcare","lineage":["https://openalex.org/I2799903593"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Johannes H. Voigt","raw_affiliation_strings":["Laboratory of Medicinal Chemistry, Center for Cancer Research, National Cancer Institute, National Institutes of Health, NCI at Frederick, 376 Boyles Street, Frederick, Maryland 21702, and Structural Biology and Cancer Drug Discovery Program, Lombardi Cancer Center & Departments of Oncology and Neuroscience, Georgetown University Medical Center, 3970 Reservoir Road, Washington, DC 20007"],"affiliations":[{"raw_affiliation_string":"Laboratory of Medicinal Chemistry, Center for Cancer Research, National Cancer Institute, National Institutes of Health, NCI at Frederick, 376 Boyles Street, Frederick, Maryland 21702, and Structural Biology and Cancer Drug Discovery Program, Lombardi Cancer Center & Departments of Oncology and Neuroscience, Georgetown University Medical Center, 3970 Reservoir Road, Washington, DC 20007","institution_ids":["https://openalex.org/I184565670","https://openalex.org/I1299303238","https://openalex.org/I2799903593","https://openalex.org/I4210140884","https://openalex.org/I4210149717","https://openalex.org/I4390039356"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5040455211","display_name":"Bruno Bienfait","orcid":null},"institutions":[{"id":"https://openalex.org/I1299303238","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238"]},{"id":"https://openalex.org/I2799903593","display_name":"Georgetown University Medical Center","ror":"https://ror.org/00hjz7x27","country_code":"US","type":"healthcare","lineage":["https://openalex.org/I2799903593"]},{"id":"https://openalex.org/I4210140884","display_name":"National Cancer Institute","ror":"https://ror.org/040gcmg81","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238","https://openalex.org/I4210140884"]},{"id":"https://openalex.org/I4210149717","display_name":"Center for Cancer Research","ror":"https://ror.org/05bjen692","country_code":"US","type":"facility","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238","https://openalex.org/I4210140884","https://openalex.org/I4210149717"]},{"id":"https://openalex.org/I4390039356","display_name":"Georgetown Lombardi Comprehensive Cancer Center","ror":"https://ror.org/035zrb927","country_code":null,"type":"healthcare","lineage":["https://openalex.org/I184565670","https://openalex.org/I4390039356"]},{"id":"https://openalex.org/I184565670","display_name":"Georgetown University","ror":"https://ror.org/05vzafd60","country_code":"US","type":"education","lineage":["https://openalex.org/I184565670"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Bruno Bienfait","raw_affiliation_strings":["Laboratory of Medicinal Chemistry, Center for Cancer Research, National Cancer Institute, National Institutes of Health, NCI at Frederick, 376 Boyles Street, Frederick, Maryland 21702, and Structural Biology and Cancer Drug Discovery Program, Lombardi Cancer Center & Departments of Oncology and Neuroscience, Georgetown University Medical Center, 3970 Reservoir Road, Washington, DC 20007"],"affiliations":[{"raw_affiliation_string":"Laboratory of Medicinal Chemistry, Center for Cancer Research, National Cancer Institute, National Institutes of Health, NCI at Frederick, 376 Boyles Street, Frederick, Maryland 21702, and Structural Biology and Cancer Drug Discovery Program, Lombardi Cancer Center & Departments of Oncology and Neuroscience, Georgetown University Medical Center, 3970 Reservoir Road, Washington, DC 20007","institution_ids":["https://openalex.org/I184565670","https://openalex.org/I1299303238","https://openalex.org/I2799903593","https://openalex.org/I4210140884","https://openalex.org/I4210149717","https://openalex.org/I4390039356"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5073754378","display_name":"Shaomeng Wang","orcid":"https://orcid.org/0000-0002-8782-6950"},"institutions":[{"id":"https://openalex.org/I4210140884","display_name":"National Cancer Institute","ror":"https://ror.org/040gcmg81","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238","https://openalex.org/I4210140884"]},{"id":"https://openalex.org/I1299303238","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238"]},{"id":"https://openalex.org/I2799903593","display_name":"Georgetown University Medical Center","ror":"https://ror.org/00hjz7x27","country_code":"US","type":"healthcare","lineage":["https://openalex.org/I2799903593"]},{"id":"https://openalex.org/I184565670","display_name":"Georgetown University","ror":"https://ror.org/05vzafd60","country_code":"US","type":"education","lineage":["https://openalex.org/I184565670"]},{"id":"https://openalex.org/I4390039356","display_name":"Georgetown Lombardi Comprehensive Cancer Center","ror":"https://ror.org/035zrb927","country_code":null,"type":"healthcare","lineage":["https://openalex.org/I184565670","https://openalex.org/I4390039356"]},{"id":"https://openalex.org/I4210149717","display_name":"Center for Cancer Research","ror":"https://ror.org/05bjen692","country_code":"US","type":"facility","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238","https://openalex.org/I4210140884","https://openalex.org/I4210149717"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Shaomeng Wang","raw_affiliation_strings":["Laboratory of Medicinal Chemistry, Center for Cancer Research, National Cancer Institute, National Institutes of Health, NCI at Frederick, 376 Boyles Street, Frederick, Maryland 21702, and Structural Biology and Cancer Drug Discovery Program, Lombardi Cancer Center & Departments of Oncology and Neuroscience, Georgetown University Medical Center, 3970 Reservoir Road, Washington, DC 20007"],"affiliations":[{"raw_affiliation_string":"Laboratory of Medicinal Chemistry, Center for Cancer Research, National Cancer Institute, National Institutes of Health, NCI at Frederick, 376 Boyles Street, Frederick, Maryland 21702, and Structural Biology and Cancer Drug Discovery Program, Lombardi Cancer Center & Departments of Oncology and Neuroscience, Georgetown University Medical Center, 3970 Reservoir Road, Washington, DC 20007","institution_ids":["https://openalex.org/I184565670","https://openalex.org/I1299303238","https://openalex.org/I2799903593","https://openalex.org/I4210140884","https://openalex.org/I4210149717","https://openalex.org/I4390039356"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5078864876","display_name":"Marc C. Nicklaus","orcid":"https://orcid.org/0000-0002-4775-7030"},"institutions":[{"id":"https://openalex.org/I2799903593","display_name":"Georgetown University Medical Center","ror":"https://ror.org/00hjz7x27","country_code":"US","type":"healthcare","lineage":["https://openalex.org/I2799903593"]},{"id":"https://openalex.org/I184565670","display_name":"Georgetown University","ror":"https://ror.org/05vzafd60","country_code":"US","type":"education","lineage":["https://openalex.org/I184565670"]},{"id":"https://openalex.org/I4210140884","display_name":"National Cancer Institute","ror":"https://ror.org/040gcmg81","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238","https://openalex.org/I4210140884"]},{"id":"https://openalex.org/I4390039356","display_name":"Georgetown Lombardi Comprehensive Cancer Center","ror":"https://ror.org/035zrb927","country_code":null,"type":"healthcare","lineage":["https://openalex.org/I184565670","https://openalex.org/I4390039356"]},{"id":"https://openalex.org/I1299303238","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238"]},{"id":"https://openalex.org/I4210149717","display_name":"Center for Cancer Research","ror":"https://ror.org/05bjen692","country_code":"US","type":"facility","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238","https://openalex.org/I4210140884","https://openalex.org/I4210149717"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Marc C. Nicklaus","raw_affiliation_strings":["Laboratory of Medicinal Chemistry, Center for Cancer Research, National Cancer Institute, National Institutes of Health, NCI at Frederick, 376 Boyles Street, Frederick, Maryland 21702, and Structural Biology and Cancer Drug Discovery Program, Lombardi Cancer Center & Departments of Oncology and Neuroscience, Georgetown University Medical Center, 3970 Reservoir Road, Washington, DC 20007"],"affiliations":[{"raw_affiliation_string":"Laboratory of Medicinal Chemistry, Center for Cancer Research, National Cancer Institute, National Institutes of Health, NCI at Frederick, 376 Boyles Street, Frederick, Maryland 21702, and Structural Biology and Cancer Drug Discovery Program, Lombardi Cancer Center & Departments of Oncology and Neuroscience, Georgetown University Medical Center, 3970 Reservoir Road, Washington, DC 20007","institution_ids":["https://openalex.org/I184565670","https://openalex.org/I1299303238","https://openalex.org/I2799903593","https://openalex.org/I4210140884","https://openalex.org/I4210149717","https://openalex.org/I4390039356"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5085300960"],"corresponding_institution_ids":["https://openalex.org/I1299303238","https://openalex.org/I184565670","https://openalex.org/I2799903593","https://openalex.org/I4210140884","https://openalex.org/I4210149717","https://openalex.org/I4390039356"],"apc_list":null,"apc_paid":null,"fwci":13.2529,"has_fulltext":false,"cited_by_count":219,"citation_normalized_percentile":{"value":0.99251266,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":96,"max":99},"biblio":{"volume":"41","issue":"3","first_page":"702","last_page":"712"},"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/T10274","display_name":"Synthesis and biological activity","score":0.9871000051498413,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"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/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9825999736785889,"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":0.9312059283256531},{"id":"https://openalex.org/keywords/directory","display_name":"Directory","score":0.7269377708435059},{"id":"https://openalex.org/keywords/chemical-database","display_name":"Chemical database","score":0.584139347076416},{"id":"https://openalex.org/keywords/database-catalog","display_name":"Database catalog","score":0.5503687858581543},{"id":"https://openalex.org/keywords/database-index","display_name":"Database index","score":0.5347864627838135},{"id":"https://openalex.org/keywords/similarity","display_name":"Similarity (geometry)","score":0.4331507384777069},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.4278269112110138},{"id":"https://openalex.org/keywords/database-schema","display_name":"Database schema","score":0.32450586557388306},{"id":"https://openalex.org/keywords/information-retrieval","display_name":"Information retrieval","score":0.3109973967075348},{"id":"https://openalex.org/keywords/database-design","display_name":"Database design","score":0.23237019777297974},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.16064101457595825},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.14373928308486938},{"id":"https://openalex.org/keywords/search-engine-indexing","display_name":"Search engine indexing","score":0.14130467176437378}],"concepts":[{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.9312059283256531},{"id":"https://openalex.org/C2777683733","wikidata":"https://www.wikidata.org/wiki/Q201456","display_name":"Directory","level":2,"score":0.7269377708435059},{"id":"https://openalex.org/C203394866","wikidata":"https://www.wikidata.org/wiki/Q2881060","display_name":"Chemical database","level":2,"score":0.584139347076416},{"id":"https://openalex.org/C65610166","wikidata":"https://www.wikidata.org/wiki/Q5227399","display_name":"Database catalog","level":4,"score":0.5503687858581543},{"id":"https://openalex.org/C59276292","wikidata":"https://www.wikidata.org/wiki/Q580427","display_name":"Database index","level":3,"score":0.5347864627838135},{"id":"https://openalex.org/C103278499","wikidata":"https://www.wikidata.org/wiki/Q254465","display_name":"Similarity (geometry)","level":3,"score":0.4331507384777069},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4278269112110138},{"id":"https://openalex.org/C30775581","wikidata":"https://www.wikidata.org/wiki/Q632285","display_name":"Database schema","level":3,"score":0.32450586557388306},{"id":"https://openalex.org/C23123220","wikidata":"https://www.wikidata.org/wiki/Q816826","display_name":"Information retrieval","level":1,"score":0.3109973967075348},{"id":"https://openalex.org/C148840519","wikidata":"https://www.wikidata.org/wiki/Q1049878","display_name":"Database design","level":2,"score":0.23237019777297974},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.16064101457595825},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.14373928308486938},{"id":"https://openalex.org/C75165309","wikidata":"https://www.wikidata.org/wiki/Q2258979","display_name":"Search engine indexing","level":2,"score":0.14130467176437378},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0},{"id":"https://openalex.org/C115961682","wikidata":"https://www.wikidata.org/wiki/Q860623","display_name":"Image (mathematics)","level":2,"score":0.0},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D009316","descriptor_name":"National Institutes of Health (U.S.)","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009316","descriptor_name":"National Institutes of Health (U.S.)","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009316","descriptor_name":"National Institutes of Health (U.S.)","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009626","descriptor_name":"Terminology as Topic","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009626","descriptor_name":"Terminology as Topic","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009626","descriptor_name":"Terminology as Topic","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014481","descriptor_name":"United States","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014481","descriptor_name":"United States","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014481","descriptor_name":"United States","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":"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":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/ci000150t","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci000150t","pdf_url":null,"source":{"id":"https://openalex.org/S171559003","display_name":"Journal of Chemical Information and Computer Sciences","issn_l":"0095-2338","issn":["0095-2338","1520-5142"],"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 Computer Sciences","raw_type":"journal-article"},{"id":"pmid:11410049","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/11410049","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 computer sciences","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320337351","display_name":"National Cancer Institute","ror":"https://ror.org/040gcmg81"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":21,"referenced_works":["https://openalex.org/W1594341127","https://openalex.org/W1605923270","https://openalex.org/W1965756702","https://openalex.org/W1981214699","https://openalex.org/W1989191044","https://openalex.org/W1991615245","https://openalex.org/W2005685204","https://openalex.org/W2010595835","https://openalex.org/W2012704983","https://openalex.org/W2013579455","https://openalex.org/W2017199324","https://openalex.org/W2021827987","https://openalex.org/W2051810242","https://openalex.org/W2062338388","https://openalex.org/W2072598797","https://openalex.org/W2074678593","https://openalex.org/W2078115945","https://openalex.org/W2081050523","https://openalex.org/W2096729078","https://openalex.org/W2158275842","https://openalex.org/W2952213121"],"related_works":["https://openalex.org/W3115906952","https://openalex.org/W3134811395","https://openalex.org/W2353378422","https://openalex.org/W1872829912","https://openalex.org/W4224116249","https://openalex.org/W2185341471","https://openalex.org/W2003932708","https://openalex.org/W2343930476","https://openalex.org/W1514823010","https://openalex.org/W2033325381"],"abstract_inverted_index":{"Eight":[0],"large":[1],"chemical":[2],"databases":[3,32,150],"have":[4,168,191],"been":[5],"analyzed":[6,33,104,230],"and":[7,55,83,134,140,163,187,195],"compared":[8],"to":[9,13,111,190,213],"each":[10,112,154,175,188],"other.":[11,155,176],"Central":[12],"this":[14],"comparison":[15],"is":[16,180],"the":[17,35,45,52,56,69,75,84,88,141,148,158,205,219,228],"open":[18],"National":[19],"Cancer":[20],"Institute":[21],"(NCI)":[22],"database,":[23],"consisting":[24],"of":[25,66,87,116,122,125,160,165,172,184,208,218,227],"approximately":[26],"250":[27],"000":[28,217],"structures.":[29],"The":[30,101,136,199],"other":[31,149,229],"are":[34,105,211],"Available":[36],"Chemicals":[37],"Directory":[38],"(\"ACD,\"":[39],"from":[40,48,93],"MDL,":[41],"release":[42],"1.99,":[43],"3D-version);":[44],"ChemACX":[46],"(\"ACX,\"":[47],"CamSoft,":[49],"Version":[50,99],"4.5);":[51,68],"Maybridge":[53],"Catalog":[54,71],"Asinex":[57],"database":[58,102,138,179,201],"(both":[59],"as":[60,64],"distributed":[61],"by":[62,203],"CamSoft":[63],"part":[65,86],"ChemInfo":[67],"Sigma-Aldrich":[70],"(CD-ROM,":[72],"1999":[73,98],"Version);":[74],"World":[76],"Drug":[77],"Index":[78],"(\"WDI,\"":[79],"Derwent,":[80],"version":[81],"1999.03);":[82],"organic":[85],"Cambridge":[89,94],"Crystallographic":[90,95],"Database":[91],"(\"CSD,\"":[92],"Data":[96],"Center,":[97],"5.18).":[100],"properties":[103],"internal":[106],"duplication":[107],"rates;":[108],"compounds":[109,117,127,162,209],"unique":[110,212],"database;":[113],"cumulative":[114],"occurrence":[115],"in":[118,225],"an":[119],"increasing":[120],"number":[121,207],"databases;":[123,130],"overlap":[124,146,173],"identical":[126],"between":[128],"two":[129],"similarity":[131],"overlap;":[132],"diversity;":[133],"others.":[135],"crystallographic":[137],"CSD":[139],"WDI":[142],"show":[143],"somewhat":[144],"less":[145],"with":[147,153],"than":[151],"those":[152],"In":[156],"particular":[157],"collections":[159],"commercial":[161],"compilations":[164],"vendor":[166],"catalogs":[167],"a":[169,182],"substantial":[170],"degree":[171],"among":[174],"Still,":[177],"no":[178],"completely":[181],"subset":[183],"any":[185,226],"other,":[186],"appears":[189],"its":[192],"own":[193],"niche":[194],"thus":[196],"\"raison":[197],"d'\u00eatre\".":[198],"NCI":[200,220],"has":[202],"far":[204],"highest":[206],"that":[210],"it.":[214],"Approximately":[215],"200":[216],"structures":[221],"were":[222],"not":[223],"found":[224],"databases.":[231]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":9},{"year":2023,"cited_by_count":6},{"year":2022,"cited_by_count":6},{"year":2021,"cited_by_count":7},{"year":2020,"cited_by_count":6},{"year":2019,"cited_by_count":8},{"year":2018,"cited_by_count":11},{"year":2017,"cited_by_count":6},{"year":2016,"cited_by_count":6},{"year":2015,"cited_by_count":3},{"year":2014,"cited_by_count":9},{"year":2013,"cited_by_count":8},{"year":2012,"cited_by_count":12}],"updated_date":"2026-04-22T08:38:42.863108","created_date":"2025-10-10T00:00:00"}