{"id":"https://openalex.org/W2049478234","doi":"https://doi.org/10.1021/ci2004835","title":"Virtual Screening Data Fusion Using Both Structure- and Ligand-Based Methods","display_name":"Virtual Screening Data Fusion Using Both Structure- and Ligand-Based Methods","publication_year":2011,"publication_date":"2011-12-12","ids":{"openalex":"https://openalex.org/W2049478234","doi":"https://doi.org/10.1021/ci2004835","mag":"2049478234","pmid":"https://pubmed.ncbi.nlm.nih.gov/22148635"},"language":"en","primary_location":{"id":"doi:10.1021/ci2004835","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci2004835","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/A5087233240","display_name":"Fredrik Svensson","orcid":"https://orcid.org/0000-0002-5556-8133"},"institutions":[{"id":"https://openalex.org/I123387679","display_name":"Uppsala University","ror":"https://ror.org/048a87296","country_code":"SE","type":"education","lineage":["https://openalex.org/I123387679"]}],"countries":["SE"],"is_corresponding":true,"raw_author_name":"Fredrik Svensson","raw_affiliation_strings":["Organic Pharmaceutical\rChemistry, Department of Medicinal\rChemistry, BMC, Uppsala University, P.O. Box 574, SE-751 23 Uppsala\rSweden","Organic Pharmaceutical Chemistry, Department of Medicinal Chemistry, BMC, Uppsala University, P.O. Box 574, SE-751 23 Uppsala, Sweden"],"affiliations":[{"raw_affiliation_string":"Organic Pharmaceutical\rChemistry, Department of Medicinal\rChemistry, BMC, Uppsala University, P.O. Box 574, SE-751 23 Uppsala\rSweden","institution_ids":["https://openalex.org/I123387679"]},{"raw_affiliation_string":"Organic Pharmaceutical Chemistry, Department of Medicinal Chemistry, BMC, Uppsala University, P.O. Box 574, SE-751 23 Uppsala, Sweden","institution_ids":["https://openalex.org/I123387679"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5018815339","display_name":"Anders Karl\u00e9n","orcid":"https://orcid.org/0000-0001-9512-6981"},"institutions":[{"id":"https://openalex.org/I123387679","display_name":"Uppsala University","ror":"https://ror.org/048a87296","country_code":"SE","type":"education","lineage":["https://openalex.org/I123387679"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"Anders Karl\u00e9n","raw_affiliation_strings":["Organic Pharmaceutical\rChemistry, Department of Medicinal\rChemistry, BMC, Uppsala University, P.O. Box 574, SE-751 23 Uppsala\rSweden"],"affiliations":[{"raw_affiliation_string":"Organic Pharmaceutical\rChemistry, Department of Medicinal\rChemistry, BMC, Uppsala University, P.O. Box 574, SE-751 23 Uppsala\rSweden","institution_ids":["https://openalex.org/I123387679"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5046352749","display_name":"Christian Sk\u00f6ld","orcid":"https://orcid.org/0000-0001-5235-2559"},"institutions":[{"id":"https://openalex.org/I123387679","display_name":"Uppsala University","ror":"https://ror.org/048a87296","country_code":"SE","type":"education","lineage":["https://openalex.org/I123387679"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"Christian Sk\u00f6ld","raw_affiliation_strings":["Organic Pharmaceutical\rChemistry, Department of Medicinal\rChemistry, BMC, Uppsala University, P.O. Box 574, SE-751 23 Uppsala\rSweden"],"affiliations":[{"raw_affiliation_string":"Organic Pharmaceutical\rChemistry, Department of Medicinal\rChemistry, BMC, Uppsala University, P.O. Box 574, SE-751 23 Uppsala\rSweden","institution_ids":["https://openalex.org/I123387679"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5087233240"],"corresponding_institution_ids":["https://openalex.org/I123387679"],"apc_list":null,"apc_paid":null,"fwci":8.7874,"has_fulltext":false,"cited_by_count":86,"citation_normalized_percentile":{"value":0.98456116,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":96,"max":100},"biblio":{"volume":"52","issue":"1","first_page":"225","last_page":"232"},"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":0.9746000170707703,"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":0.9277999997138977,"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/virtual-screening","display_name":"Virtual screening","score":0.8819470405578613},{"id":"https://openalex.org/keywords/ranking","display_name":"Ranking (information retrieval)","score":0.7602514028549194},{"id":"https://openalex.org/keywords/pharmacophore","display_name":"Pharmacophore","score":0.70558100938797},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.647551417350769},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.6417385935783386},{"id":"https://openalex.org/keywords/consistency","display_name":"Consistency (knowledge bases)","score":0.6012942790985107},{"id":"https://openalex.org/keywords/sensor-fusion","display_name":"Sensor fusion","score":0.5916776061058044},{"id":"https://openalex.org/keywords/rank","display_name":"Rank (graph theory)","score":0.5702313184738159},{"id":"https://openalex.org/keywords/similarity","display_name":"Similarity (geometry)","score":0.523308515548706},{"id":"https://openalex.org/keywords/majority-rule","display_name":"Majority rule","score":0.4980428218841553},{"id":"https://openalex.org/keywords/pareto-principle","display_name":"Pareto principle","score":0.49682381749153137},{"id":"https://openalex.org/keywords/fusion","display_name":"Fusion","score":0.49181845784187317},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.4497770667076111},{"id":"https://openalex.org/keywords/voting","display_name":"Voting","score":0.4274942874908447},{"id":"https://openalex.org/keywords/selection","display_name":"Selection (genetic algorithm)","score":0.41716182231903076},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.3578120470046997},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.18719404935836792},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.16741415858268738},{"id":"https://openalex.org/keywords/statistics","display_name":"Statistics","score":0.13850197196006775}],"concepts":[{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.8819470405578613},{"id":"https://openalex.org/C189430467","wikidata":"https://www.wikidata.org/wiki/Q7293293","display_name":"Ranking (information retrieval)","level":2,"score":0.7602514028549194},{"id":"https://openalex.org/C56173144","wikidata":"https://www.wikidata.org/wiki/Q1539893","display_name":"Pharmacophore","level":2,"score":0.70558100938797},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.647551417350769},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.6417385935783386},{"id":"https://openalex.org/C2776436953","wikidata":"https://www.wikidata.org/wiki/Q5163215","display_name":"Consistency (knowledge bases)","level":2,"score":0.6012942790985107},{"id":"https://openalex.org/C33954974","wikidata":"https://www.wikidata.org/wiki/Q486494","display_name":"Sensor fusion","level":2,"score":0.5916776061058044},{"id":"https://openalex.org/C164226766","wikidata":"https://www.wikidata.org/wiki/Q7293202","display_name":"Rank (graph theory)","level":2,"score":0.5702313184738159},{"id":"https://openalex.org/C103278499","wikidata":"https://www.wikidata.org/wiki/Q254465","display_name":"Similarity (geometry)","level":3,"score":0.523308515548706},{"id":"https://openalex.org/C153668964","wikidata":"https://www.wikidata.org/wiki/Q27636","display_name":"Majority rule","level":2,"score":0.4980428218841553},{"id":"https://openalex.org/C137635306","wikidata":"https://www.wikidata.org/wiki/Q182667","display_name":"Pareto principle","level":2,"score":0.49682381749153137},{"id":"https://openalex.org/C158525013","wikidata":"https://www.wikidata.org/wiki/Q2593739","display_name":"Fusion","level":2,"score":0.49181845784187317},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.4497770667076111},{"id":"https://openalex.org/C520049643","wikidata":"https://www.wikidata.org/wiki/Q189760","display_name":"Voting","level":3,"score":0.4274942874908447},{"id":"https://openalex.org/C81917197","wikidata":"https://www.wikidata.org/wiki/Q628760","display_name":"Selection (genetic algorithm)","level":2,"score":0.41716182231903076},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.3578120470046997},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.18719404935836792},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.16741415858268738},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.13850197196006775},{"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/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/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"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/C17744445","wikidata":"https://www.wikidata.org/wiki/Q36442","display_name":"Political science","level":0,"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":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":"Q000737","qualifier_name":"chemistry","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":"D003198","descriptor_name":"Computer Simulation","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":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000819","qualifier_name":"agonists","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000819","qualifier_name":"agonists","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000819","qualifier_name":"agonists","is_major_topic":false},{"descriptor_ui":"D012372","descriptor_name":"ROC Curve","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012372","descriptor_name":"ROC Curve","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012372","descriptor_name":"ROC Curve","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"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":"D017076","descriptor_name":"Computer-Aided Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017076","descriptor_name":"Computer-Aided Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017076","descriptor_name":"Computer-Aided Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D057166","descriptor_name":"High-Throughput Screening Assays","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057166","descriptor_name":"High-Throughput Screening Assays","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057166","descriptor_name":"High-Throughput Screening Assays","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/ci2004835","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci2004835","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:22148635","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/22148635","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":39,"referenced_works":["https://openalex.org/W105910878","https://openalex.org/W1605923270","https://openalex.org/W1965721706","https://openalex.org/W1979966120","https://openalex.org/W1982842980","https://openalex.org/W1985588649","https://openalex.org/W1990627326","https://openalex.org/W1993421185","https://openalex.org/W1996966884","https://openalex.org/W1999491936","https://openalex.org/W2002755329","https://openalex.org/W2009423060","https://openalex.org/W2017132056","https://openalex.org/W2018673290","https://openalex.org/W2023407345","https://openalex.org/W2026083170","https://openalex.org/W2027423337","https://openalex.org/W2030686695","https://openalex.org/W2038542598","https://openalex.org/W2046128919","https://openalex.org/W2046336719","https://openalex.org/W2046891749","https://openalex.org/W2050273205","https://openalex.org/W2058820833","https://openalex.org/W2071932467","https://openalex.org/W2075726924","https://openalex.org/W2077467335","https://openalex.org/W2078819180","https://openalex.org/W2081266727","https://openalex.org/W2081322171","https://openalex.org/W2109980079","https://openalex.org/W2112937261","https://openalex.org/W2119830208","https://openalex.org/W2127760066","https://openalex.org/W2130479394","https://openalex.org/W2151175139","https://openalex.org/W2326292210","https://openalex.org/W2949504121","https://openalex.org/W4248107770"],"related_works":["https://openalex.org/W2000397010","https://openalex.org/W2115078847","https://openalex.org/W2062768126","https://openalex.org/W2969563261","https://openalex.org/W2061401330","https://openalex.org/W3041915240","https://openalex.org/W2055137136","https://openalex.org/W2077097504","https://openalex.org/W2586171341","https://openalex.org/W2167386965"],"abstract_inverted_index":{"Virtual":[0],"screening":[1,31,122],"is":[2],"widely":[3],"applied":[4],"in":[5,29],"drug":[6],"discovery,":[7],"and":[8,55,61,79,118,142],"significant":[9],"effort":[10],"has":[11],"been":[12],"put":[13],"into":[14],"improving":[15],"current":[16],"methods.":[17,63],"In":[18],"this":[19],"study,":[20],"we":[21],"have":[22,146],"evaluated":[23],"the":[24,84,95,98,116,125],"performance":[25,117],"of":[26,41,83,120],"compound":[27,110],"ranking":[28,111,144],"virtual":[30,121],"using":[32,112],"five":[33],"different":[34],"data":[35,43,46,68,113,132],"fusion":[36,69,85,114,133],"algorithms":[37,65],"on":[38],"a":[39],"total":[40],"16":[42],"sets.":[44],"The":[45,64,106,129],"were":[47,70],"generated":[48],"by":[49],"docking,":[50],"pharmacophore":[51],"search,":[52],"shape":[53],"similarity,":[54,57],"electrostatic":[56],"spanning":[58],"both":[59,139],"structure-":[60],"ligand-based":[62],"used":[66],"for":[67],"sum":[71,75],"rank,":[72],"rank":[73,140],"vote,":[74],"score,":[76],"Pareto":[77,143],"ranking,":[78],"parallel":[80,136],"selection.":[81],"None":[82],"methods":[86,100,127],"require":[87],"any":[88],"prior":[89],"knowledge":[90],"or":[91],"input":[92],"other":[93],"than":[94],"results":[96,107],"from":[97],"single":[99,126],"and,":[101],"thus,":[102],"are":[103],"readily":[104],"applicable.":[105],"show":[108],"that":[109],"improves":[115],"consistency":[119],"compared":[123],"to":[124],"alone.":[128],"best":[130],"performing":[131],"algorithm":[134],"was":[135],"selection,":[137],"but":[138],"voting":[141],"also":[145],"good":[147],"performance.":[148]},"counts_by_year":[{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":7},{"year":2022,"cited_by_count":4},{"year":2021,"cited_by_count":5},{"year":2020,"cited_by_count":10},{"year":2019,"cited_by_count":3},{"year":2018,"cited_by_count":3},{"year":2017,"cited_by_count":5},{"year":2016,"cited_by_count":5},{"year":2015,"cited_by_count":9},{"year":2014,"cited_by_count":8},{"year":2013,"cited_by_count":13},{"year":2012,"cited_by_count":7}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}