{"id":"https://openalex.org/W2082896250","doi":"https://doi.org/10.1021/ci400155x","title":"Relating Anatomical Therapeutic Indications by the Ensemble Similarity of Drug Sets","display_name":"Relating Anatomical Therapeutic Indications by the Ensemble Similarity of Drug Sets","publication_year":2013,"publication_date":"2013-07-28","ids":{"openalex":"https://openalex.org/W2082896250","doi":"https://doi.org/10.1021/ci400155x","mag":"2082896250","pmid":"https://pubmed.ncbi.nlm.nih.gov/23889502"},"language":"en","primary_location":{"id":"doi:10.1021/ci400155x","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci400155x","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/A5101869895","display_name":"Leihong Wu","orcid":"https://orcid.org/0000-0002-4093-3708"},"institutions":[{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Leihong Wu","raw_affiliation_strings":["Pharmaceutical\rInformatics Institute, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China","Pharmaceutical Informatics Institute, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Pharmaceutical\rInformatics Institute, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China","institution_ids":["https://openalex.org/I76130692"]},{"raw_affiliation_string":"Pharmaceutical Informatics Institute, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China","institution_ids":["https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101764385","display_name":"Ni Ai","orcid":null},"institutions":[{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Ni Ai","raw_affiliation_strings":["Pharmaceutical\rInformatics Institute, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China","Pharmaceutical#R#Informatics Institute, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Pharmaceutical\rInformatics Institute, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China","institution_ids":["https://openalex.org/I76130692"]},{"raw_affiliation_string":"Pharmaceutical#R#Informatics Institute, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China","institution_ids":["https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100376614","display_name":"Yufeng Liu","orcid":"https://orcid.org/0000-0002-1686-0545"},"institutions":[{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yufeng Liu","raw_affiliation_strings":["Pharmaceutical\rInformatics Institute, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China","Pharmaceutical#R#Informatics Institute, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Pharmaceutical\rInformatics Institute, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China","institution_ids":["https://openalex.org/I76130692"]},{"raw_affiliation_string":"Pharmaceutical#R#Informatics Institute, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China","institution_ids":["https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100364983","display_name":"Yi Wang","orcid":"https://orcid.org/0000-0002-8519-6852"},"institutions":[{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yi Wang","raw_affiliation_strings":["Pharmaceutical\rInformatics Institute, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China","Pharmaceutical#R#Informatics Institute, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Pharmaceutical\rInformatics Institute, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China","institution_ids":["https://openalex.org/I76130692"]},{"raw_affiliation_string":"Pharmaceutical#R#Informatics Institute, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China","institution_ids":["https://openalex.org/I76130692"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5060364374","display_name":"Xiaohui Fan","orcid":"https://orcid.org/0000-0002-6336-3007"},"institutions":[{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Xiaohui Fan","raw_affiliation_strings":["Pharmaceutical\rInformatics Institute, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China","Pharmaceutical#R#Informatics Institute, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Pharmaceutical\rInformatics Institute, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China","institution_ids":["https://openalex.org/I76130692"]},{"raw_affiliation_string":"Pharmaceutical#R#Informatics Institute, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China","institution_ids":["https://openalex.org/I76130692"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5060364374"],"corresponding_institution_ids":["https://openalex.org/I76130692"],"apc_list":null,"apc_paid":null,"fwci":5.4678,"has_fulltext":false,"cited_by_count":49,"citation_normalized_percentile":{"value":0.96091429,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":90,"max":99},"biblio":{"volume":"53","issue":"8","first_page":"2154","last_page":"2160"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9995999932289124,"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":0.9995999932289124,"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/T11710","display_name":"Biomedical Text Mining and Ontologies","score":0.9853000044822693,"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":0.8346415758132935},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5594978332519531},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.5079625248908997},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.4704422354698181},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.4327000379562378},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.43214625120162964},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.36461958289146423},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.3464788794517517},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.20100271701812744},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.16009244322776794},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.08704936504364014}],"concepts":[{"id":"https://openalex.org/C103278499","wikidata":"https://www.wikidata.org/wiki/Q254465","display_name":"Similarity (geometry)","level":3,"score":0.8346415758132935},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5594978332519531},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.5079625248908997},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.4704422354698181},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.4327000379562378},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.43214625120162964},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.36461958289146423},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.3464788794517517},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.20100271701812744},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.16009244322776794},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.08704936504364014},{"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/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D004358","descriptor_name":"Drug Therapy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004358","descriptor_name":"Drug Therapy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004358","descriptor_name":"Drug Therapy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"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":"D014486","descriptor_name":"United States Food and Drug Administration","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014486","descriptor_name":"United States Food and Drug Administration","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014486","descriptor_name":"United States Food and Drug Administration","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017277","descriptor_name":"Drug Approval","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017277","descriptor_name":"Drug Approval","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017277","descriptor_name":"Drug Approval","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D048088","descriptor_name":"Informatics","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D048088","descriptor_name":"Informatics","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D048088","descriptor_name":"Informatics","qualifier_ui":"Q000379","qualifier_name":"methods","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":"D058492","descriptor_name":"Drug Repositioning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D058492","descriptor_name":"Drug Repositioning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D058492","descriptor_name":"Drug Repositioning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062313","descriptor_name":"Databases, Pharmaceutical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062313","descriptor_name":"Databases, Pharmaceutical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062313","descriptor_name":"Databases, Pharmaceutical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/ci400155x","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci400155x","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:23889502","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/23889502","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":[{"score":0.5,"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3"}],"awards":[],"funders":[{"id":"https://openalex.org/F4320335787","display_name":"Fundamental Research Funds for the Central Universities","ror":null}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":22,"referenced_works":["https://openalex.org/W1976582164","https://openalex.org/W1984789788","https://openalex.org/W1990719220","https://openalex.org/W2030909788","https://openalex.org/W2033591223","https://openalex.org/W2077529342","https://openalex.org/W2083045667","https://openalex.org/W2084267598","https://openalex.org/W2109482131","https://openalex.org/W2113072832","https://openalex.org/W2116726476","https://openalex.org/W2121604817","https://openalex.org/W2137052779","https://openalex.org/W2137632714","https://openalex.org/W2138512826","https://openalex.org/W2154896031","https://openalex.org/W2155142785","https://openalex.org/W2155157373","https://openalex.org/W2159887157","https://openalex.org/W2162011385","https://openalex.org/W2466593639","https://openalex.org/W4243837696"],"related_works":["https://openalex.org/W4206379684","https://openalex.org/W2375480909","https://openalex.org/W2353314428","https://openalex.org/W2012019886","https://openalex.org/W2166090428","https://openalex.org/W2381021552","https://openalex.org/W2354749003","https://openalex.org/W2366105490","https://openalex.org/W2377121353","https://openalex.org/W2580680567"],"abstract_inverted_index":{"The":[0],"anatomical":[1],"therapeutic":[2],"chemical":[3],"(ATC)":[4],"system":[5],"is":[6],"a":[7,24,40,121],"world":[8],"standard":[9],"to":[10,115,130],"define":[11],"drug":[12,57,100],"indications.":[13],"Despite":[14],"its":[15],"broad":[16],"applications":[17],"in":[18,135],"pharmaceutical":[19],"and":[20,71,83],"biomedical":[21],"research,":[22],"only":[23],"few":[25],"studies":[26],"that":[27,50,63],"examine":[28],"the":[29,44,77,104,110,132,136],"relationships":[30,73,134],"among":[31,118],"ATC":[32,53,69,112,137],"classes":[33,54],"have":[34],"been":[35],"published.":[36],"Here":[37],"we":[38,108],"present":[39],"similarity-based":[41],"approach,":[42],"named":[43],"indication":[45],"similarity":[46],"ensemble":[47],"approach":[48],"(iSEA),":[49],"innovatively":[51],"correlates":[52],"by":[55],"their":[56],"set":[58],"similarity.":[59],"Our":[60],"study":[61],"demonstrated":[62],"iSEA":[64],"was":[65],"capable":[66],"of":[67,106],"relating":[68],"classes,":[70],"these":[72],"could":[74],"accurately":[75],"assign":[76],"right":[78],"indications":[79,90],"for":[80,91,99],"approved":[81],"drugs":[82],"make":[84],"reasonable":[85],"predictions":[86],"about":[87],"possible":[88],"clinical":[89],"unclassified":[92],"drugs,":[93],"which":[94,124],"would":[95,125],"provide":[96],"valuable":[97],"information":[98],"repositioning.":[101],"Additionally,":[102],"on":[103],"basis":[105],"iSEA,":[107],"constructed":[109],"first":[111],"relationship":[113],"network":[114,122],"reflect":[116],"correlations":[117],"ATCs":[119],"from":[120],"view,":[123],"further":[126],"render":[127],"novel":[128],"insight":[129],"understand":[131],"intrinsic":[133],"system.":[138]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":5},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":4},{"year":2020,"cited_by_count":3},{"year":2019,"cited_by_count":7},{"year":2018,"cited_by_count":3},{"year":2017,"cited_by_count":3},{"year":2016,"cited_by_count":5},{"year":2015,"cited_by_count":7},{"year":2014,"cited_by_count":3}],"updated_date":"2026-06-16T07:32:37.131356","created_date":"2025-10-10T00:00:00"}