{"id":"https://openalex.org/W1993421185","doi":"https://doi.org/10.1021/ci0496144","title":"Analysis of Data Fusion Methods in Virtual Screening:\u2009 Similarity and Group Fusion","display_name":"Analysis of Data Fusion Methods in Virtual Screening:\u2009 Similarity and Group Fusion","publication_year":2006,"publication_date":"2006-08-29","ids":{"openalex":"https://openalex.org/W1993421185","doi":"https://doi.org/10.1021/ci0496144","mag":"1993421185","pmid":"https://pubmed.ncbi.nlm.nih.gov/17125165"},"language":"en","primary_location":{"id":"doi:10.1021/ci0496144","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci0496144","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/A5108785323","display_name":"Martin Whittle","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":"Martin Whittle","raw_affiliation_strings":["Department of Information Studies, University of Sheffield, 211 Portobello Street, Sheffield S1 4DP, U.K"],"affiliations":[{"raw_affiliation_string":"Department of Information Studies, University of Sheffield, 211 Portobello Street, Sheffield S1 4DP, U.K","institution_ids":["https://openalex.org/I91136226"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5030046388","display_name":"Valerie J. Gillet","orcid":"https://orcid.org/0000-0002-8403-3111"},"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":"Valerie J. Gillet","raw_affiliation_strings":["Department of Information Studies, University of Sheffield, 211 Portobello Street, Sheffield S1 4DP, U.K"],"affiliations":[{"raw_affiliation_string":"Department of Information Studies, University of Sheffield, 211 Portobello Street, Sheffield S1 4DP, U.K","institution_ids":["https://openalex.org/I91136226"]}]},{"author_position":"middle","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":["Department of Information Studies, University of Sheffield, 211 Portobello Street, Sheffield S1 4DP, U.K"],"affiliations":[{"raw_affiliation_string":"Department of Information Studies, University of Sheffield, 211 Portobello Street, Sheffield S1 4DP, U.K","institution_ids":["https://openalex.org/I91136226"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5088381820","display_name":"Jens Loesel","orcid":null},"institutions":[{"id":"https://openalex.org/I189718659","display_name":"Pfizer (United Kingdom)","ror":"https://ror.org/04x4v8p40","country_code":"GB","type":"company","lineage":["https://openalex.org/I180857899","https://openalex.org/I189718659"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Jens Loesel","raw_affiliation_strings":["Pfizer Global Research and Development, Pfizer Limited, Ramsgate Road, Sandwich, Kent, CT13 9NJ, U.K"],"affiliations":[{"raw_affiliation_string":"Pfizer Global Research and Development, Pfizer Limited, Ramsgate Road, Sandwich, Kent, CT13 9NJ, U.K","institution_ids":["https://openalex.org/I189718659"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5108785323"],"corresponding_institution_ids":["https://openalex.org/I91136226"],"apc_list":null,"apc_paid":null,"fwci":4.5175,"has_fulltext":false,"cited_by_count":83,"citation_normalized_percentile":{"value":0.94181999,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"46","issue":"6","first_page":"2206","last_page":"2219"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11303","display_name":"Bayesian Modeling and Causal Inference","score":0.9901000261306763,"subfield":{"id":"https://openalex.org/subfields/1702","display_name":"Artificial Intelligence"},"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/T11303","display_name":"Bayesian Modeling and Causal Inference","score":0.9901000261306763,"subfield":{"id":"https://openalex.org/subfields/1702","display_name":"Artificial Intelligence"},"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/T11106","display_name":"Data Management and Algorithms","score":0.9850999712944031,"subfield":{"id":"https://openalex.org/subfields/1711","display_name":"Signal Processing"},"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/T12205","display_name":"Time Series Analysis and Forecasting","score":0.984000027179718,"subfield":{"id":"https://openalex.org/subfields/1711","display_name":"Signal Processing"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/fusion","display_name":"Fusion","score":0.7932015061378479},{"id":"https://openalex.org/keywords/similarity","display_name":"Similarity (geometry)","score":0.7077687382698059},{"id":"https://openalex.org/keywords/sensor-fusion","display_name":"Sensor fusion","score":0.5870653390884399},{"id":"https://openalex.org/keywords/fusion-rules","display_name":"Fusion rules","score":0.57914799451828},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5669492483139038},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.5631266832351685},{"id":"https://openalex.org/keywords/formalism","display_name":"Formalism (music)","score":0.510615885257721},{"id":"https://openalex.org/keywords/group","display_name":"Group (periodic table)","score":0.47007495164871216},{"id":"https://openalex.org/keywords/context","display_name":"Context (archaeology)","score":0.459791898727417},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.43793874979019165},{"id":"https://openalex.org/keywords/pattern-recognition","display_name":"Pattern recognition (psychology)","score":0.35199838876724243},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.34059634804725647},{"id":"https://openalex.org/keywords/image-fusion","display_name":"Image fusion","score":0.18858039379119873},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.07661640644073486}],"concepts":[{"id":"https://openalex.org/C158525013","wikidata":"https://www.wikidata.org/wiki/Q2593739","display_name":"Fusion","level":2,"score":0.7932015061378479},{"id":"https://openalex.org/C103278499","wikidata":"https://www.wikidata.org/wiki/Q254465","display_name":"Similarity (geometry)","level":3,"score":0.7077687382698059},{"id":"https://openalex.org/C33954974","wikidata":"https://www.wikidata.org/wiki/Q486494","display_name":"Sensor fusion","level":2,"score":0.5870653390884399},{"id":"https://openalex.org/C2778971668","wikidata":"https://www.wikidata.org/wiki/Q5510284","display_name":"Fusion rules","level":4,"score":0.57914799451828},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5669492483139038},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.5631266832351685},{"id":"https://openalex.org/C73301696","wikidata":"https://www.wikidata.org/wiki/Q5469984","display_name":"Formalism (music)","level":3,"score":0.510615885257721},{"id":"https://openalex.org/C2781311116","wikidata":"https://www.wikidata.org/wiki/Q83306","display_name":"Group (periodic table)","level":2,"score":0.47007495164871216},{"id":"https://openalex.org/C2779343474","wikidata":"https://www.wikidata.org/wiki/Q3109175","display_name":"Context (archaeology)","level":2,"score":0.459791898727417},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.43793874979019165},{"id":"https://openalex.org/C153180895","wikidata":"https://www.wikidata.org/wiki/Q7148389","display_name":"Pattern recognition (psychology)","level":2,"score":0.35199838876724243},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.34059634804725647},{"id":"https://openalex.org/C69744172","wikidata":"https://www.wikidata.org/wiki/Q860822","display_name":"Image fusion","level":3,"score":0.18858039379119873},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.07661640644073486},{"id":"https://openalex.org/C142362112","wikidata":"https://www.wikidata.org/wiki/Q735","display_name":"Art","level":0,"score":0.0},{"id":"https://openalex.org/C151730666","wikidata":"https://www.wikidata.org/wiki/Q7205","display_name":"Paleontology","level":1,"score":0.0},{"id":"https://openalex.org/C153349607","wikidata":"https://www.wikidata.org/wiki/Q36649","display_name":"Visual arts","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/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.0},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"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/C558565934","wikidata":"https://www.wikidata.org/wiki/Q2743","display_name":"Musical","level":2,"score":0.0},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0}],"mesh":[{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003205","descriptor_name":"Computing Methodologies","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003205","descriptor_name":"Computing Methodologies","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003205","descriptor_name":"Computing Methodologies","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003627","descriptor_name":"Data Interpretation, Statistical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003627","descriptor_name":"Data Interpretation, Statistical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003627","descriptor_name":"Data Interpretation, Statistical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004345","descriptor_name":"Drug Industry","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D004345","descriptor_name":"Drug Industry","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D004345","descriptor_name":"Drug Industry","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":"Q000295","qualifier_name":"instrumentation","is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":"Q000295","qualifier_name":"instrumentation","is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":"Q000295","qualifier_name":"instrumentation","is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013678","descriptor_name":"Technology, Pharmaceutical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013678","descriptor_name":"Technology, Pharmaceutical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013678","descriptor_name":"Technology, Pharmaceutical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015233","descriptor_name":"Models, Statistical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015233","descriptor_name":"Models, Statistical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015233","descriptor_name":"Models, Statistical","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":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","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":false},{"descriptor_ui":"D020650","descriptor_name":"Combinatorial Chemistry Techniques","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D020650","descriptor_name":"Combinatorial Chemistry Techniques","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D020650","descriptor_name":"Combinatorial Chemistry Techniques","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/ci0496144","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci0496144","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:17125165","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/17125165","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":[{"id":"https://openalex.org/F4320307765","display_name":"Pfizer","ror":"https://ror.org/01xdqrp08"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":18,"referenced_works":["https://openalex.org/W1487942432","https://openalex.org/W1963917497","https://openalex.org/W1965721706","https://openalex.org/W1969462276","https://openalex.org/W1990696547","https://openalex.org/W2000541041","https://openalex.org/W2035180565","https://openalex.org/W2049241863","https://openalex.org/W2071717945","https://openalex.org/W2091723491","https://openalex.org/W2093737637","https://openalex.org/W2094493457","https://openalex.org/W2096729078","https://openalex.org/W2125253492","https://openalex.org/W2143369964","https://openalex.org/W2143798637","https://openalex.org/W2149150765","https://openalex.org/W2213366305"],"related_works":["https://openalex.org/W2132659060","https://openalex.org/W2089331400","https://openalex.org/W2031992971","https://openalex.org/W3214791684","https://openalex.org/W2353265673","https://openalex.org/W2152662039","https://openalex.org/W2726747157","https://openalex.org/W2004817612","https://openalex.org/W2373269255","https://openalex.org/W2010131506"],"abstract_inverted_index":{"In":[0,24],"a":[1,20,84,102,147],"recent":[2],"companion":[3],"paper":[4,26],"we":[5,27,145],"have":[6],"related":[7],"the":[8,32,57,67,74,93,134,150,154,157],"operation":[9],"of":[10,34,46,66,92,101,138,153],"simple":[11],"data":[12,35],"fusion":[13,36,48,86,109,126,140],"rules":[14],"used":[15],"in":[16,64,111,122,159],"virtual":[17],"screening":[18],"to":[19,31,39,132],"multiple":[21,99,142],"integral":[22],"formalism.":[23],"this":[25,105,118,160],"extend":[28],"these":[29],"ideas":[30],"analysis":[33],"methods":[37,129],"applied":[38],"real":[40],"data.":[41],"We":[42,81],"examine":[43],"several":[44],"cases":[45],"similarity":[47,68,108],"using":[49,73],"different":[50,53],"coefficients":[51],"and":[52,55,78,144],"representations":[54],"consider":[56],"reasons":[58],"for":[59,97,149],"positive":[60],"or":[61],"negative":[62],"results":[63,137],"terms":[65],"distributions.":[69],"Results":[70],"are":[71,130],"obtained":[72],"SUM-,":[75],"MAX-":[76],"MIN-,":[77],"CombMNZ-fusion":[79],"rules.":[80,127],"also":[82],"develop":[83],"customized":[85],"rule,":[87],"which":[88],"provides":[89],"an":[90],"estimate":[91],"optimal":[94],"possible":[95],"result":[96],"fusing":[98],"searches":[100],"specific":[103],"database;":[104],"shows":[106],"that":[107],"can,":[110],"principle,":[112],"achieve":[113],"retrieval":[114],"enhancements":[115],"even":[116],"if":[117],"is":[119],"not":[120],"achieved":[121],"practice":[123],"with":[124,141],"current":[125],"The":[128],"extended":[131],"analyze":[133],"comparatively":[135],"successful":[136],"group":[139],"actives,":[143],"provide":[146],"rationale":[148],"observed":[151],"superiority":[152],"MAX-rule":[155],"over":[156],"SUM-rule":[158],"context.":[161]},"counts_by_year":[{"year":2025,"cited_by_count":2},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":4},{"year":2021,"cited_by_count":8},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2017,"cited_by_count":5},{"year":2016,"cited_by_count":2},{"year":2015,"cited_by_count":6},{"year":2014,"cited_by_count":3},{"year":2013,"cited_by_count":11},{"year":2012,"cited_by_count":6}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}