{"id":"https://openalex.org/W2093737637","doi":"https://doi.org/10.1021/ci025596j","title":"Combination of Fingerprint-Based Similarity Coefficients Using Data Fusion","display_name":"Combination of Fingerprint-Based Similarity Coefficients Using Data Fusion","publication_year":2002,"publication_date":"2002-12-20","ids":{"openalex":"https://openalex.org/W2093737637","doi":"https://doi.org/10.1021/ci025596j","mag":"2093737637","pmid":"https://pubmed.ncbi.nlm.nih.gov/12653506"},"language":"en","primary_location":{"id":"doi:10.1021/ci025596j","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci025596j","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/A5012641332","display_name":"Naomie Salim","orcid":"https://orcid.org/0000-0001-8509-3055"},"institutions":[{"id":"https://openalex.org/I91136226","display_name":"University of Sheffield","ror":"https://ror.org/05krs5044","country_code":"GB","type":"education","lineage":["https://openalex.org/I91136226"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Naomie Salim","raw_affiliation_strings":["Krebs Institute for Biomolecular Research and Department of Information Studies, University of Sheffield, Western Bank, Sheffield S10 2TN, U.K"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Krebs Institute for Biomolecular Research and Department of Information Studies, University of Sheffield, Western Bank, Sheffield S10 2TN, U.K","institution_ids":["https://openalex.org/I91136226"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5034861147","display_name":"John D. Holliday","orcid":null},"institutions":[{"id":"https://openalex.org/I91136226","display_name":"University of Sheffield","ror":"https://ror.org/05krs5044","country_code":"GB","type":"education","lineage":["https://openalex.org/I91136226"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"John Holliday","raw_affiliation_strings":["Krebs Institute for Biomolecular Research and Department of Information Studies, University of Sheffield, Western Bank, Sheffield S10 2TN, U.K","Krebs Institute for Biomolecular Research and Department of Information Studies , University of Sheffield , Western Bank, Sheffield, S10 2TN, U.K"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Krebs Institute for Biomolecular Research and Department of Information Studies, University of Sheffield, Western Bank, Sheffield S10 2TN, U.K","institution_ids":["https://openalex.org/I91136226"]},{"raw_affiliation_string":"Krebs Institute for Biomolecular Research and Department of Information Studies , University of Sheffield , Western Bank, Sheffield, S10 2TN, U.K","institution_ids":["https://openalex.org/I91136226"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5102885255","display_name":"Peter Willett","orcid":"https://orcid.org/0000-0003-4591-7173"},"institutions":[{"id":"https://openalex.org/I91136226","display_name":"University of Sheffield","ror":"https://ror.org/05krs5044","country_code":"GB","type":"education","lineage":["https://openalex.org/I91136226"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Peter Willett","raw_affiliation_strings":["Krebs Institute for Biomolecular Research and Department of Information Studies, University of Sheffield, Western Bank, Sheffield S10 2TN, U.K","Krebs Institute for Biomolecular Research and Department of Information Studies , University of Sheffield , Western Bank, Sheffield, S10 2TN, U.K"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Krebs Institute for Biomolecular Research and Department of Information Studies, University of Sheffield, Western Bank, Sheffield S10 2TN, U.K","institution_ids":["https://openalex.org/I91136226"]},{"raw_affiliation_string":"Krebs Institute for Biomolecular Research and Department of Information Studies , University of Sheffield , Western Bank, Sheffield, S10 2TN, U.K","institution_ids":["https://openalex.org/I91136226"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5034861147"],"corresponding_institution_ids":["https://openalex.org/I91136226"],"apc_list":null,"apc_paid":null,"fwci":6.2288,"has_fulltext":false,"cited_by_count":148,"citation_normalized_percentile":{"value":0.97308242,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":95,"max":99},"biblio":{"volume":"43","issue":"2","first_page":"435","last_page":"442"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998000264167786,"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":0.9998000264167786,"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/T10836","display_name":"Metabolomics and Mass Spectrometry Studies","score":0.920799970626831,"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":0.8754347562789917},{"id":"https://openalex.org/keywords/fingerprint","display_name":"Fingerprint (computing)","score":0.5874589681625366},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.5588454604148865},{"id":"https://openalex.org/keywords/fusion","display_name":"Fusion","score":0.5554524064064026},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5498233437538147},{"id":"https://openalex.org/keywords/nearest-neighbor-search","display_name":"Nearest neighbor search","score":0.5437149405479431},{"id":"https://openalex.org/keywords/binary-number","display_name":"Binary number","score":0.5163968205451965},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.37986600399017334},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.35439053177833557},{"id":"https://openalex.org/keywords/pattern-recognition","display_name":"Pattern recognition (psychology)","score":0.348652720451355}],"concepts":[{"id":"https://openalex.org/C103278499","wikidata":"https://www.wikidata.org/wiki/Q254465","display_name":"Similarity (geometry)","level":3,"score":0.8754347562789917},{"id":"https://openalex.org/C2777826928","wikidata":"https://www.wikidata.org/wiki/Q3745713","display_name":"Fingerprint (computing)","level":2,"score":0.5874589681625366},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.5588454604148865},{"id":"https://openalex.org/C158525013","wikidata":"https://www.wikidata.org/wiki/Q2593739","display_name":"Fusion","level":2,"score":0.5554524064064026},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5498233437538147},{"id":"https://openalex.org/C116738811","wikidata":"https://www.wikidata.org/wiki/Q608751","display_name":"Nearest neighbor search","level":2,"score":0.5437149405479431},{"id":"https://openalex.org/C48372109","wikidata":"https://www.wikidata.org/wiki/Q3913","display_name":"Binary number","level":2,"score":0.5163968205451965},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.37986600399017334},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.35439053177833557},{"id":"https://openalex.org/C153180895","wikidata":"https://www.wikidata.org/wiki/Q7148389","display_name":"Pattern recognition (psychology)","level":2,"score":0.348652720451355},{"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/C41895202","wikidata":"https://www.wikidata.org/wiki/Q8162","display_name":"Linguistics","level":1,"score":0.0},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.0},{"id":"https://openalex.org/C94375191","wikidata":"https://www.wikidata.org/wiki/Q11205","display_name":"Arithmetic","level":1,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1021/ci025596j","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci025596j","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:12653506","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/12653506","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},{"id":"pmh:oai:eprints.whiterose.ac.uk:9230","is_oa":false,"landing_page_url":"http://eprints.whiterose.ac.uk/9230/","pdf_url":null,"source":{"id":"https://openalex.org/S4306400854","display_name":"White Rose Research Online (University of Leeds, The University of Sheffield, University of York)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I2800616092","host_organization_name":"White Rose University Consortium","host_organization_lineage":["https://openalex.org/I2800616092"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":10,"referenced_works":["https://openalex.org/W1976304644","https://openalex.org/W2001860992","https://openalex.org/W2005685204","https://openalex.org/W2021083597","https://openalex.org/W2030686695","https://openalex.org/W2060097376","https://openalex.org/W2062556965","https://openalex.org/W2096729078","https://openalex.org/W2160114756","https://openalex.org/W2486095760"],"related_works":["https://openalex.org/W2339806289","https://openalex.org/W2109424811","https://openalex.org/W2368132270","https://openalex.org/W2173185020","https://openalex.org/W109501413","https://openalex.org/W2375480909","https://openalex.org/W2075134888","https://openalex.org/W4388857868","https://openalex.org/W2946784807","https://openalex.org/W2353314428"],"abstract_inverted_index":{"Many":[0],"different":[1,13,18],"types":[2],"of":[3,24,39,64,69],"similarity":[4,25,40,57,65],"coefficients":[5,14,58,83],"have":[6],"been":[7],"described":[8],"in":[9,47],"the":[10,22,37],"literature.":[11],"Since":[12],"take":[15],"into":[16],"account":[17],"characteristics":[19],"when":[20],"assessing":[21],"degree":[23],"between":[26,41],"molecules,":[27],"it":[28],"is":[29,51,91],"reasonable":[30],"to":[31,34,53,59],"combine":[32,54],"them":[33],"further":[35],"optimize":[36],"measures":[38],"molecules.":[42,71],"This":[43],"paper":[44],"describes":[45],"experiments":[46],"which":[48,95],"data":[49],"fusion":[50],"used":[52],"several":[55],"binary":[56],"get":[60],"an":[61],"overall":[62],"estimate":[63],"for":[66,101],"searching":[67],"databases":[68],"bioactive":[70],"The":[72],"results":[73],"show":[74],"that":[75],"search":[76,103],"performances":[77],"can":[78],"be":[79],"improved":[80],"by":[81],"combining":[82],"with":[84],"little":[85],"extra":[86],"computational":[87],"cost.":[88],"However,":[89],"there":[90],"no":[92],"single":[93],"combination":[94],"gives":[96],"a":[97],"consistently":[98],"high":[99],"performance":[100],"all":[102],"types.":[104]},"counts_by_year":[{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":3},{"year":2022,"cited_by_count":5},{"year":2021,"cited_by_count":5},{"year":2020,"cited_by_count":3},{"year":2018,"cited_by_count":4},{"year":2017,"cited_by_count":9},{"year":2016,"cited_by_count":5},{"year":2015,"cited_by_count":5},{"year":2014,"cited_by_count":6},{"year":2013,"cited_by_count":10},{"year":2012,"cited_by_count":12}],"updated_date":"2026-06-15T08:34:33.830935","created_date":"2025-10-10T00:00:00"}