{"id":"https://openalex.org/W2017853440","doi":"https://doi.org/10.1021/ci300442u","title":"Consensus Methods for Combining Multiple Clusterings of Chemical Structures","display_name":"Consensus Methods for Combining Multiple Clusterings of Chemical Structures","publication_year":2013,"publication_date":"2013-04-15","ids":{"openalex":"https://openalex.org/W2017853440","doi":"https://doi.org/10.1021/ci300442u","mag":"2017853440","pmid":"https://pubmed.ncbi.nlm.nih.gov/23581471"},"language":"en","primary_location":{"id":"doi:10.1021/ci300442u","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci300442u","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/A5018312503","display_name":"Faisal Saeed","orcid":"https://orcid.org/0000-0002-2822-1708"},"institutions":[{"id":"https://openalex.org/I170535673","display_name":"Sana'a University","ror":"https://ror.org/04hcvaf32","country_code":"YE","type":"education","lineage":["https://openalex.org/I170535673"]},{"id":"https://openalex.org/I4576418","display_name":"University of Technology Malaysia","ror":"https://ror.org/026w31v75","country_code":"MY","type":"education","lineage":["https://openalex.org/I4576418"]}],"countries":["MY","YE"],"is_corresponding":true,"raw_author_name":"Faisal Saeed","raw_affiliation_strings":["Faculty of\rComputing, Universiti Teknologi Malaysia, Malaysia","Information\rTechnology Department, Sanhan Community College, Sana\u2019a, Yemen","Faculty of#R#Computing, Universiti Teknologi Malaysia, Malaysia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Faculty of\rComputing, Universiti Teknologi Malaysia, Malaysia","institution_ids":["https://openalex.org/I4576418"]},{"raw_affiliation_string":"Information\rTechnology Department, Sanhan Community College, Sana\u2019a, Yemen","institution_ids":["https://openalex.org/I170535673"]},{"raw_affiliation_string":"Faculty of#R#Computing, Universiti Teknologi Malaysia, Malaysia","institution_ids":["https://openalex.org/I4576418"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5012641332","display_name":"Naomie Salim","orcid":"https://orcid.org/0000-0001-8509-3055"},"institutions":[{"id":"https://openalex.org/I4576418","display_name":"University of Technology Malaysia","ror":"https://ror.org/026w31v75","country_code":"MY","type":"education","lineage":["https://openalex.org/I4576418"]}],"countries":["MY"],"is_corresponding":false,"raw_author_name":"Naomie Salim","raw_affiliation_strings":["Faculty of\rComputing, Universiti Teknologi Malaysia, Malaysia","Department of Information System"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Faculty of\rComputing, Universiti Teknologi Malaysia, Malaysia","institution_ids":["https://openalex.org/I4576418"]},{"raw_affiliation_string":"Department of Information System","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5011865103","display_name":"Ammar Abdo","orcid":"https://orcid.org/0000-0003-4569-2744"},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I31605765","display_name":"Hodeidah University","ror":"https://ror.org/05fkpm735","country_code":"YE","type":"education","lineage":["https://openalex.org/I31605765"]},{"id":"https://openalex.org/I4210138412","display_name":"Centre Inria de l'Universit\u00e9 de Lille","ror":"https://ror.org/04eej9726","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1326498283","https://openalex.org/I4210138412"]}],"countries":["FR","YE"],"is_corresponding":false,"raw_author_name":"Ammar Abdo","raw_affiliation_strings":["Computer\rScience Department, Hodeidah University, Hodeidah, Yemen","LIFL UMR CNRS 8022 Universit\u00e9 Lille 1 and INRIA Lille Nord Europe, 59655 Villeneuve d\u2019Ascq cedex, France","Computer#R#Science Department, Hodeidah University, Hodeidah, Yemen"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Computer\rScience Department, Hodeidah University, Hodeidah, Yemen","institution_ids":["https://openalex.org/I31605765"]},{"raw_affiliation_string":"LIFL UMR CNRS 8022 Universit\u00e9 Lille 1 and INRIA Lille Nord Europe, 59655 Villeneuve d\u2019Ascq cedex, France","institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I4210138412"]},{"raw_affiliation_string":"Computer#R#Science Department, Hodeidah University, Hodeidah, Yemen","institution_ids":["https://openalex.org/I31605765"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5018312503"],"corresponding_institution_ids":["https://openalex.org/I170535673","https://openalex.org/I4576418"],"apc_list":null,"apc_paid":null,"fwci":0.713,"has_fulltext":false,"cited_by_count":4,"citation_normalized_percentile":{"value":0.72719885,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":95},"biblio":{"volume":"53","issue":"5","first_page":"1026","last_page":"1034"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9987000226974487,"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":0.9987000226974487,"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/T10064","display_name":"Complex Network Analysis Techniques","score":0.9926999807357788,"subfield":{"id":"https://openalex.org/subfields/3109","display_name":"Statistical and Nonlinear Physics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9908999800682068,"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/cluster-analysis","display_name":"Cluster analysis","score":0.8551456928253174},{"id":"https://openalex.org/keywords/consensus-clustering","display_name":"Consensus clustering","score":0.7862058281898499},{"id":"https://openalex.org/keywords/voting","display_name":"Voting","score":0.6421312093734741},{"id":"https://openalex.org/keywords/partition","display_name":"Partition (number theory)","score":0.61073237657547},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.5957410931587219},{"id":"https://openalex.org/keywords/rand-index","display_name":"Rand index","score":0.5867372155189514},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5809184312820435},{"id":"https://openalex.org/keywords/graph","display_name":"Graph","score":0.5058004856109619},{"id":"https://openalex.org/keywords/clustering-coefficient","display_name":"Clustering coefficient","score":0.45102283358573914},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.35401400923728943},{"id":"https://openalex.org/keywords/correlation-clustering","display_name":"Correlation clustering","score":0.2962713837623596},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.2580830454826355},{"id":"https://openalex.org/keywords/cure-data-clustering-algorithm","display_name":"CURE data clustering algorithm","score":0.2264261543750763},{"id":"https://openalex.org/keywords/theoretical-computer-science","display_name":"Theoretical computer science","score":0.09003788232803345}],"concepts":[{"id":"https://openalex.org/C73555534","wikidata":"https://www.wikidata.org/wiki/Q622825","display_name":"Cluster analysis","level":2,"score":0.8551456928253174},{"id":"https://openalex.org/C186767784","wikidata":"https://www.wikidata.org/wiki/Q5162841","display_name":"Consensus clustering","level":5,"score":0.7862058281898499},{"id":"https://openalex.org/C520049643","wikidata":"https://www.wikidata.org/wiki/Q189760","display_name":"Voting","level":3,"score":0.6421312093734741},{"id":"https://openalex.org/C42812","wikidata":"https://www.wikidata.org/wiki/Q1082910","display_name":"Partition (number theory)","level":2,"score":0.61073237657547},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.5957410931587219},{"id":"https://openalex.org/C111442797","wikidata":"https://www.wikidata.org/wiki/Q7291446","display_name":"Rand index","level":3,"score":0.5867372155189514},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5809184312820435},{"id":"https://openalex.org/C132525143","wikidata":"https://www.wikidata.org/wiki/Q141488","display_name":"Graph","level":2,"score":0.5058004856109619},{"id":"https://openalex.org/C22047676","wikidata":"https://www.wikidata.org/wiki/Q898680","display_name":"Clustering coefficient","level":3,"score":0.45102283358573914},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.35401400923728943},{"id":"https://openalex.org/C94641424","wikidata":"https://www.wikidata.org/wiki/Q5172845","display_name":"Correlation clustering","level":3,"score":0.2962713837623596},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.2580830454826355},{"id":"https://openalex.org/C33704608","wikidata":"https://www.wikidata.org/wiki/Q5014717","display_name":"CURE data clustering algorithm","level":4,"score":0.2264261543750763},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.09003788232803345},{"id":"https://openalex.org/C17744445","wikidata":"https://www.wikidata.org/wiki/Q36442","display_name":"Political science","level":0,"score":0.0},{"id":"https://openalex.org/C199539241","wikidata":"https://www.wikidata.org/wiki/Q7748","display_name":"Law","level":1,"score":0.0},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.0},{"id":"https://openalex.org/C94625758","wikidata":"https://www.wikidata.org/wiki/Q7163","display_name":"Politics","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","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":"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":"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/ci300442u","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci300442u","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:23581471","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/23581471","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":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":40,"referenced_works":["https://openalex.org/W100104462","https://openalex.org/W1548779692","https://openalex.org/W1845421800","https://openalex.org/W1964513093","https://openalex.org/W1974041968","https://openalex.org/W1983332050","https://openalex.org/W1988037271","https://openalex.org/W1991493796","https://openalex.org/W1992418208","https://openalex.org/W2000376564","https://openalex.org/W2002767255","https://openalex.org/W2005685204","https://openalex.org/W2030087063","https://openalex.org/W2030644393","https://openalex.org/W2033403400","https://openalex.org/W2037183202","https://openalex.org/W2052943632","https://openalex.org/W2055246239","https://openalex.org/W2061650979","https://openalex.org/W2062875420","https://openalex.org/W2070232376","https://openalex.org/W2072682248","https://openalex.org/W2074176940","https://openalex.org/W2074870484","https://openalex.org/W2080624168","https://openalex.org/W2081050523","https://openalex.org/W2085249420","https://openalex.org/W2091324760","https://openalex.org/W2093737637","https://openalex.org/W2099111195","https://openalex.org/W2103420095","https://openalex.org/W2111596024","https://openalex.org/W2115346774","https://openalex.org/W2133679578","https://openalex.org/W2138370670","https://openalex.org/W2139280638","https://openalex.org/W2151175139","https://openalex.org/W2213138713","https://openalex.org/W4242608849","https://openalex.org/W4285719527"],"related_works":["https://openalex.org/W2411800789","https://openalex.org/W2170098929","https://openalex.org/W3008563687","https://openalex.org/W1699825714","https://openalex.org/W4206269941","https://openalex.org/W3156184139","https://openalex.org/W4299415738","https://openalex.org/W2952341432","https://openalex.org/W3189934245","https://openalex.org/W2594705972"],"abstract_inverted_index":{"The":[0,52,74,110],"goal":[1],"of":[2,21,82,124],"consensus":[3,10,34,42,50,115],"clustering":[4,22,26,43,84],"methods":[5,116],"is":[6],"to":[7,86],"find":[8],"a":[9],"partition":[11],"that":[12,113],"optimally":[13],"summarizes":[14],"an":[15,31],"ensemble":[16],"and":[17,38,48,54,63,72,106],"improves":[18],"the":[19,61,80,83,114,122],"quality":[20],"compared":[23,39],"with":[24,40],"single":[25],"algorithms.":[27],"In":[28],"this":[29],"paper,":[30],"enhanced":[32],"voting-based":[33,49],"method":[35,85],"was":[36],"introduced":[37],"other":[41],"methods,":[44],"including":[45],"co-association-based,":[46],"graph-based,":[47],"methods.":[51],"MDDR":[53],"MUV":[55],"data":[56],"sets":[57],"were":[58,64,76],"used":[59],"for":[60,121],"experiments":[62,111],"represented":[65],"by":[66],"three":[67],"2D":[68],"fingerprints:":[69],"ALOGP,":[70],"ECFP_4,":[71],"ECFC_4.":[73],"results":[75],"evaluated":[77],"based":[78],"on":[79],"ability":[81],"separate":[87],"active":[88],"from":[89],"inactive":[90],"molecules":[91],"in":[92],"each":[93],"cluster":[94],"using":[95],"four":[96],"criteria:":[97],"F-measure,":[98],"Quality":[99],"Partition":[100],"Index":[101,104,108],"(QPI),":[102],"Rand":[103],"(RI),":[105],"Fowlkes-Mallows":[107],"(FMI).":[109],"suggest":[112],"can":[117],"deliver":[118],"significant":[119],"improvements":[120],"effectiveness":[123],"chemical":[125],"structures":[126],"clustering.":[127]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":1}],"updated_date":"2026-07-22T07:51:19.307946","created_date":"2025-10-10T00:00:00"}