{"id":"https://openalex.org/W2140938571","doi":"https://doi.org/10.1093/nar/gku1212","title":"CFam: a chemical families database based on iterative selection of functional seeds and seed-directed compound clustering","display_name":"CFam: a chemical families database based on iterative selection of functional seeds and seed-directed compound clustering","publication_year":2014,"publication_date":"2014-11-20","ids":{"openalex":"https://openalex.org/W2140938571","doi":"https://doi.org/10.1093/nar/gku1212","mag":"2140938571","pmid":"https://pubmed.ncbi.nlm.nih.gov/25414339"},"language":"en","primary_location":{"id":"doi:10.1093/nar/gku1212","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gku1212","pdf_url":null,"source":{"id":"https://openalex.org/S134668137","display_name":"Nucleic Acids Research","issn_l":"0305-1048","issn":["0305-1048","1362-4954","1362-4962"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nucleic Acids Research","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://doi.org/10.1093/nar/gku1212","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5100439707","display_name":"Cheng Zhang","orcid":"https://orcid.org/0000-0003-3843-1562"},"institutions":[{"id":"https://openalex.org/I165932596","display_name":"National University of Singapore","ror":"https://ror.org/01tgyzw49","country_code":"SG","type":"education","lineage":["https://openalex.org/I165932596"]}],"countries":["SG"],"is_corresponding":true,"raw_author_name":"Cheng Zhang","raw_affiliation_strings":["Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543 State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, West China Medical School, Sichuan University, Chengdu 610041, China Computational and Systems Biology, Singapore-MIT Alliance, National University of Singapore, Singapore","National University of Singapore, Singapore, Singapore"],"affiliations":[{"raw_affiliation_string":"Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543 State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, West China Medical School, Sichuan University, Chengdu 610041, China Computational and Systems Biology, Singapore-MIT Alliance, National University of Singapore, Singapore","institution_ids":[]},{"raw_affiliation_string":"National University of Singapore, Singapore, Singapore","institution_ids":["https://openalex.org/I165932596"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5061697130","display_name":"Lin Tao","orcid":"https://orcid.org/0000-0001-7494-4758"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Lin Tao","raw_affiliation_strings":["Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456 yzchen@cz3.nus.edu.sg","Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456"],"affiliations":[{"raw_affiliation_string":"Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456 yzchen@cz3.nus.edu.sg","institution_ids":[]},{"raw_affiliation_string":"Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5017826971","display_name":"Qin Chu","orcid":"https://orcid.org/0000-0002-2434-0611"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Chu Qin","raw_affiliation_strings":["Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456"],"affiliations":[{"raw_affiliation_string":"Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100364153","display_name":"Peng Zhang","orcid":"https://orcid.org/0000-0002-6129-567X"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Peng Zhang","raw_affiliation_strings":["Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543","Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore , Singapore 117543"],"affiliations":[{"raw_affiliation_string":"Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543","institution_ids":[]},{"raw_affiliation_string":"Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore , Singapore 117543","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5020114794","display_name":"Shangying Chen","orcid":"https://orcid.org/0000-0003-3036-0798"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Shangying Chen","raw_affiliation_strings":["Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543","Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore , Singapore 117543"],"affiliations":[{"raw_affiliation_string":"Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543","institution_ids":[]},{"raw_affiliation_string":"Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore , Singapore 117543","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5061507364","display_name":"Xian Zeng","orcid":"https://orcid.org/0000-0002-1397-554X"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Xian Zeng","raw_affiliation_strings":["Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543","Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore , Singapore 117543"],"affiliations":[{"raw_affiliation_string":"Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543","institution_ids":[]},{"raw_affiliation_string":"Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore , Singapore 117543","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5083116262","display_name":"Xu Feng","orcid":"https://orcid.org/0000-0003-1603-7070"},"institutions":[{"id":"https://openalex.org/I205237279","display_name":"Nankai University","ror":"https://ror.org/01y1kjr75","country_code":"CN","type":"education","lineage":["https://openalex.org/I205237279"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Feng Xu","raw_affiliation_strings":["College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300071, China State Key Laboratory of Medicinal Chemistry & Biology, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, China","Nankai University, Tianjin, China"],"affiliations":[{"raw_affiliation_string":"College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300071, China State Key Laboratory of Medicinal Chemistry & Biology, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, China","institution_ids":[]},{"raw_affiliation_string":"Nankai University, Tianjin, China","institution_ids":["https://openalex.org/I205237279"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100457678","display_name":"Zhe Chen","orcid":"https://orcid.org/0000-0002-2919-4481"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Zhe Chen","raw_affiliation_strings":["State Key Laboratory of Medicinal Chemistry & Biology, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, China"],"affiliations":[{"raw_affiliation_string":"State Key Laboratory of Medicinal Chemistry & Biology, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, China","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5053519908","display_name":"Sheng Yang","orcid":"https://orcid.org/0000-0001-8295-1552"},"institutions":[{"id":"https://openalex.org/I4391768003","display_name":"State Key Laboratory of Biotherapy","ror":"https://ror.org/00x43yy22","country_code":null,"type":"facility","lineage":["https://openalex.org/I24185976","https://openalex.org/I4391768003"]},{"id":"https://openalex.org/I24185976","display_name":"Sichuan University","ror":"https://ror.org/011ashp19","country_code":"CN","type":"education","lineage":["https://openalex.org/I24185976"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Sheng Yong Yang","raw_affiliation_strings":["State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, West China Medical School, Sichuan University, Chengdu 610041, China","State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, West China Medical School, Sichuan University, Chengdu, 610041, China"],"affiliations":[{"raw_affiliation_string":"State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, West China Medical School, Sichuan University, Chengdu 610041, China","institution_ids":["https://openalex.org/I24185976","https://openalex.org/I4391768003"]},{"raw_affiliation_string":"State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, West China Medical School, Sichuan University, Chengdu, 610041, China","institution_ids":["https://openalex.org/I24185976","https://openalex.org/I4391768003"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5077700312","display_name":"Yu Chen","orcid":"https://orcid.org/0000-0002-5473-8022"},"institutions":[{"id":"https://openalex.org/I165932596","display_name":"National University of Singapore","ror":"https://ror.org/01tgyzw49","country_code":"SG","type":"education","lineage":["https://openalex.org/I165932596"]}],"countries":["SG"],"is_corresponding":false,"raw_author_name":"Yu\u00a0Zong Chen","raw_affiliation_strings":["Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543 State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, West China Medical School, Sichuan University, Chengdu 610041, China yzchen@cz3.nus.edu.sg","National University of Singapore, Singapore, Singapore"],"affiliations":[{"raw_affiliation_string":"Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543 State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, West China Medical School, Sichuan University, Chengdu 610041, China yzchen@cz3.nus.edu.sg","institution_ids":[]},{"raw_affiliation_string":"National University of Singapore, Singapore, Singapore","institution_ids":["https://openalex.org/I165932596"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":10,"corresponding_author_ids":["https://openalex.org/A5100439707"],"corresponding_institution_ids":["https://openalex.org/I165932596"],"apc_list":{"value":3630,"currency":"USD","value_usd":3630},"apc_paid":{"value":3630,"currency":"USD","value_usd":3630},"fwci":0.3656,"has_fulltext":false,"cited_by_count":6,"citation_normalized_percentile":{"value":0.6613351,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":"43","issue":"D1","first_page":"D558","last_page":"D565"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":1.0,"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":1.0,"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":0.9876000285148621,"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/T10836","display_name":"Metabolomics and Mass Spectrometry Studies","score":0.9851999878883362,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/similarity","display_name":"Similarity (geometry)","score":0.5921311974525452},{"id":"https://openalex.org/keywords/cluster-analysis","display_name":"Cluster analysis","score":0.46981173753738403},{"id":"https://openalex.org/keywords/chemical-similarity","display_name":"Chemical similarity","score":0.4536237120628357},{"id":"https://openalex.org/keywords/structural-similarity","display_name":"Structural similarity","score":0.45024606585502625},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.43286368250846863},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.42396265268325806},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.36341941356658936},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.36113351583480835},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.3209364414215088},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.1707555055618286},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.1519874930381775}],"concepts":[{"id":"https://openalex.org/C103278499","wikidata":"https://www.wikidata.org/wiki/Q254465","display_name":"Similarity (geometry)","level":3,"score":0.5921311974525452},{"id":"https://openalex.org/C73555534","wikidata":"https://www.wikidata.org/wiki/Q622825","display_name":"Cluster analysis","level":2,"score":0.46981173753738403},{"id":"https://openalex.org/C24259465","wikidata":"https://www.wikidata.org/wiki/Q2272153","display_name":"Chemical similarity","level":3,"score":0.4536237120628357},{"id":"https://openalex.org/C139489369","wikidata":"https://www.wikidata.org/wiki/Q770846","display_name":"Structural similarity","level":2,"score":0.45024606585502625},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.43286368250846863},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.42396265268325806},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.36341941356658936},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.36113351583480835},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3209364414215088},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.1707555055618286},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.1519874930381775},{"id":"https://openalex.org/C115961682","wikidata":"https://www.wikidata.org/wiki/Q860623","display_name":"Image (mathematics)","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":"Q000145","qualifier_name":"classification","is_major_topic":false},{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":"Q000145","qualifier_name":"classification","is_major_topic":false},{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":"Q000145","qualifier_name":"classification","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000145","qualifier_name":"classification","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000145","qualifier_name":"classification","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000145","qualifier_name":"classification","is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","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":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D062126","descriptor_name":"Databases, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D062126","descriptor_name":"Databases, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D062126","descriptor_name":"Databases, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":4,"locations":[{"id":"doi:10.1093/nar/gku1212","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gku1212","pdf_url":null,"source":{"id":"https://openalex.org/S134668137","display_name":"Nucleic Acids Research","issn_l":"0305-1048","issn":["0305-1048","1362-4954","1362-4962"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nucleic Acids Research","raw_type":"journal-article"},{"id":"pmid:25414339","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/25414339","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":"Nucleic acids research","raw_type":null},{"id":"pmh:oai:scholarbank.nus.edu.sg:10635/127928","is_oa":false,"landing_page_url":"http://scholarbank.nus.edu.sg/handle/10635/127928","pdf_url":null,"source":{"id":"https://openalex.org/S7407052290","display_name":"National University of Singapore","issn_l":null,"issn":[],"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Article"},{"id":"pmh:oai:europepmc.org:3354931","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/4383987","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1093/nar/gku1212","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gku1212","pdf_url":null,"source":{"id":"https://openalex.org/S134668137","display_name":"Nucleic Acids Research","issn_l":"0305-1048","issn":["0305-1048","1362-4954","1362-4962"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nucleic Acids Research","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G517584200","display_name":null,"funder_award_id":"2013CB967204","funder_id":"https://openalex.org/F4320327563","funder_display_name":"Major State Basic Research Development Program of China"},{"id":"https://openalex.org/G7368665030","display_name":null,"funder_award_id":"2013CB","funder_id":"https://openalex.org/F4320327563","funder_display_name":"Major State Basic Research Development Program of China"}],"funders":[{"id":"https://openalex.org/F4320327563","display_name":"Major State Basic Research Development Program of China","ror":null}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":57,"referenced_works":["https://openalex.org/W6602908","https://openalex.org/W1538011504","https://openalex.org/W1601495365","https://openalex.org/W1970407818","https://openalex.org/W1971527053","https://openalex.org/W1975426150","https://openalex.org/W1975875968","https://openalex.org/W1981214699","https://openalex.org/W1982310490","https://openalex.org/W1988909822","https://openalex.org/W1990451437","https://openalex.org/W1990567988","https://openalex.org/W1993492933","https://openalex.org/W2010222077","https://openalex.org/W2011781897","https://openalex.org/W2018518196","https://openalex.org/W2022444336","https://openalex.org/W2024610405","https://openalex.org/W2025922633","https://openalex.org/W2027482274","https://openalex.org/W2028326521","https://openalex.org/W2029296498","https://openalex.org/W2031673775","https://openalex.org/W2033844318","https://openalex.org/W2036274069","https://openalex.org/W2039749139","https://openalex.org/W2042007894","https://openalex.org/W2061843861","https://openalex.org/W2063028213","https://openalex.org/W2066419497","https://openalex.org/W2068271330","https://openalex.org/W2078293348","https://openalex.org/W2081050523","https://openalex.org/W2082692915","https://openalex.org/W2083957993","https://openalex.org/W2090192910","https://openalex.org/W2092302310","https://openalex.org/W2095542263","https://openalex.org/W2096729078","https://openalex.org/W2098770192","https://openalex.org/W2107158607","https://openalex.org/W2107644675","https://openalex.org/W2108211735","https://openalex.org/W2125253492","https://openalex.org/W2128653811","https://openalex.org/W2129448726","https://openalex.org/W2134231719","https://openalex.org/W2147405665","https://openalex.org/W2147526198","https://openalex.org/W2156077095","https://openalex.org/W2159887157","https://openalex.org/W2169678694","https://openalex.org/W2170082200","https://openalex.org/W2177658341","https://openalex.org/W2197388599","https://openalex.org/W2204197091","https://openalex.org/W2320034101"],"related_works":["https://openalex.org/W2074014730","https://openalex.org/W1963790256","https://openalex.org/W1987966112","https://openalex.org/W4292296636","https://openalex.org/W2384995271","https://openalex.org/W2090768198","https://openalex.org/W1996722392","https://openalex.org/W2042007894","https://openalex.org/W22579956","https://openalex.org/W3175241218"],"abstract_inverted_index":{"Similarity-based":[0],"clustering":[1],"and":[2,12,15,24,39,67,74,86,97,131,137,146,173,186,191],"classification":[3],"of":[4,9,76,108,149,197],"compounds":[5,32,79,91,133,151],"enable":[6],"the":[7,13,82],"search":[8],"drug":[10],"leads":[11],"structural":[14],"chemogenomic":[16],"studies":[17],"for":[18,44],"facilitating":[19,45],"chemical,":[20],"biomedical,":[21],"agricultural,":[22],"material":[23],"other":[25,68,195],"industrial":[26],"applications.":[27],"A":[28],"database":[29,51,185],"that":[30],"organizes":[31],"into":[33,70,134],"similarity-based":[34],"as":[35,37],"well":[36],"scaffold-based":[38],"property-based":[40],"families":[41,110,130,148,192],"is":[42],"useful":[43],"these":[46],"tasks.":[47],"CFam":[48,109,139,184],"Chemical":[49],"Family":[50],"http://bidd2.cse.nus.edu.sg/cfam":[52],"was":[53,100],"developed":[54],"to":[55,128,181],"hierarchically":[56,113],"cluster":[57,132],"drugs,":[58,115,154,158,161],"bioactive":[59,116],"molecules,":[60,117,165],"human":[61,118,167],"metabolites,":[62,119,168],"natural":[63,120,171],"products,":[64,121],"patented":[65,122,175],"agents":[66],"molecules":[69],"functional":[71,106,189],"families,":[72,135],"superfamilies":[73,136,145],"classes":[75],"structurally":[77],"similar":[78],"based":[80,193],"on":[81,194],"literature-reported":[83],"high,":[84],"intermediate":[85],"remote":[87],"similarity":[88,99],"measures.":[89],"The":[90,105],"were":[92,111,126],"represented":[93],"by":[94,102],"molecular":[95,98,198],"fingerprint":[96],"measured":[101],"Tanimoto":[103],"coefficient.":[104],"seeds":[107],"from":[112],"clustered":[114],"agents,":[123],"respectively,":[124],"which":[125],"used":[127],"characterize":[129],"classes.":[138],"currently":[140],"contains":[141],"11,643":[142],"classes,":[143],"34,880":[144],"87,136":[147],"490,279":[150],"(1691":[152],"approved":[153],"1228":[155],"clinical":[156],"trial":[157],"12,386":[159],"investigative":[160],"262,881":[162],"highly":[163],"active":[164],"15,055":[166],"80,255":[169],"ZINC-processed":[170],"products":[172],"116,783":[174],"agents).":[176],"Efforts":[177],"will":[178],"be":[179],"made":[180],"further":[182],"expand":[183],"add":[187],"more":[188],"categories":[190],"types":[196],"representations.":[199]},"counts_by_year":[{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2018,"cited_by_count":2},{"year":2015,"cited_by_count":1}],"updated_date":"2026-04-10T15:06:20.359241","created_date":"2025-10-10T00:00:00"}