{"id":"https://openalex.org/W2199485679","doi":"https://doi.org/10.1186/s13321-015-0110-6","title":"Accurate and efficient target prediction using a potency-sensitive influence-relevance voter","display_name":"Accurate and efficient target prediction using a potency-sensitive influence-relevance voter","publication_year":2015,"publication_date":"2015-12-01","ids":{"openalex":"https://openalex.org/W2199485679","doi":"https://doi.org/10.1186/s13321-015-0110-6","mag":"2199485679","pmid":"https://pubmed.ncbi.nlm.nih.gov/26719774"},"language":"en","primary_location":{"id":"doi:10.1186/s13321-015-0110-6","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-015-0110-6","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-015-0110-6","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-015-0110-6","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5050080962","display_name":"Alessandro Lusci","orcid":null},"institutions":[{"id":"https://openalex.org/I204250578","display_name":"University of California, Irvine","ror":"https://ror.org/04gyf1771","country_code":"US","type":"education","lineage":["https://openalex.org/I204250578"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Alessandro Lusci","raw_affiliation_strings":["School of Information and Computer Sciences, University of California, Irvine, Irvine, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Information and Computer Sciences, University of California, Irvine, Irvine, USA","institution_ids":["https://openalex.org/I204250578"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5089147479","display_name":"David Fooshee","orcid":null},"institutions":[{"id":"https://openalex.org/I204250578","display_name":"University of California, Irvine","ror":"https://ror.org/04gyf1771","country_code":"US","type":"education","lineage":["https://openalex.org/I204250578"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"David Fooshee","raw_affiliation_strings":["School of Information and Computer Sciences, University of California, Irvine, Irvine, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Information and Computer Sciences, University of California, Irvine, Irvine, USA","institution_ids":["https://openalex.org/I204250578"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5019565104","display_name":"Michael R. Browning","orcid":null},"institutions":[{"id":"https://openalex.org/I204465549","display_name":"Washington University in St. Louis","ror":"https://ror.org/01yc7t268","country_code":"US","type":"education","lineage":["https://openalex.org/I204465549"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Michael Browning","raw_affiliation_strings":["Pathology and Immunology, Washington University in St. Louis, St. Louis, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Pathology and Immunology, Washington University in St. Louis, St. Louis, USA","institution_ids":["https://openalex.org/I204465549"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5086610385","display_name":"S. Joshua Swamidass","orcid":"https://orcid.org/0000-0003-2191-0778"},"institutions":[{"id":"https://openalex.org/I204465549","display_name":"Washington University in St. Louis","ror":"https://ror.org/01yc7t268","country_code":"US","type":"education","lineage":["https://openalex.org/I204465549"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Joshua Swamidass","raw_affiliation_strings":["Pathology and Immunology, Washington University in St. Louis, St. Louis, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Pathology and Immunology, Washington University in St. Louis, St. Louis, USA","institution_ids":["https://openalex.org/I204465549"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5088813478","display_name":"Pierre Baldi","orcid":"https://orcid.org/0000-0001-8752-4664"},"institutions":[{"id":"https://openalex.org/I204250578","display_name":"University of California, Irvine","ror":"https://ror.org/04gyf1771","country_code":"US","type":"education","lineage":["https://openalex.org/I204250578"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Pierre Baldi","raw_affiliation_strings":["School of Information and Computer Sciences, University of California, Irvine, Irvine, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Information and Computer Sciences, University of California, Irvine, Irvine, USA","institution_ids":["https://openalex.org/I204250578"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5088813478"],"corresponding_institution_ids":["https://openalex.org/I204250578"],"apc_list":{"value":2390,"currency":"USD","value_usd":2390},"apc_paid":{"value":2390,"currency":"USD","value_usd":2390},"fwci":6.8007,"has_fulltext":true,"cited_by_count":26,"citation_normalized_percentile":{"value":0.97387611,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":88,"max":99},"biblio":{"volume":"7","issue":"1","first_page":"63","last_page":"63"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9814000129699707,"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":0.9814000129699707,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.005799999926239252,"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"}},{"id":"https://openalex.org/T10887","display_name":"Bioinformatics and Genomic Networks","score":0.0031999999191612005,"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/relevance","display_name":"Relevance (law)","score":0.7017911076545715},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6720399856567383},{"id":"https://openalex.org/keywords/potency","display_name":"Potency","score":0.5444586873054504},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.4828370213508606},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.32924574613571167},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.1419438123703003}],"concepts":[{"id":"https://openalex.org/C158154518","wikidata":"https://www.wikidata.org/wiki/Q7310970","display_name":"Relevance (law)","level":2,"score":0.7017911076545715},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6720399856567383},{"id":"https://openalex.org/C57992300","wikidata":"https://www.wikidata.org/wiki/Q2066956","display_name":"Potency","level":3,"score":0.5444586873054504},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.4828370213508606},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.32924574613571167},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.1419438123703003},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"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/C17744445","wikidata":"https://www.wikidata.org/wiki/Q36442","display_name":"Political science","level":0,"score":0.0},{"id":"https://openalex.org/C202751555","wikidata":"https://www.wikidata.org/wiki/Q221681","display_name":"In vitro","level":2,"score":0.0}],"mesh":[],"locations_count":6,"locations":[{"id":"doi:10.1186/s13321-015-0110-6","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-015-0110-6","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-015-0110-6","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},{"id":"pmid:26719774","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/26719774","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 cheminformatics","raw_type":"Journal Article"},{"id":"pmh:oai:digitalcommons.wustl.edu:open_access_pubs-5462","is_oa":true,"landing_page_url":"https://digitalcommons.wustl.edu/open_access_pubs/4456","pdf_url":"https://digitalcommons.wustl.edu/open_access_pubs/4456","source":{"id":"https://openalex.org/S4306400764","display_name":"Digital Commons@Becker (Washington University School of Medicine)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I204465549","host_organization_name":"Washington University in St. Louis","host_organization_lineage":["https://openalex.org/I204465549"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Open Access Publications","raw_type":"text"},{"id":"pmh:oai:europepmc.org:3665870","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/4696267","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Text"},{"id":"pmh:ark:/13030/qt0b94939h","is_oa":false,"landing_page_url":null,"pdf_url":null,"source":null,"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":null},{"id":"pmh:oai:escholarship.org:ark:/13030/qt0b94939h","is_oa":true,"landing_page_url":"https://escholarship.org/uc/item/0b94939h","pdf_url":null,"source":{"id":"https://openalex.org/S4306400115","display_name":"eScholarship (California Digital Library)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I2801248553","host_organization_name":"California Digital Library","host_organization_lineage":["https://openalex.org/I2801248553"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Cheminformatics, vol 7, iss 1","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1186/s13321-015-0110-6","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-015-0110-6","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-015-0110-6","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1019976798","display_name":null,"funder_award_id":"R01 LM010235","funder_id":"https://openalex.org/F4320337372","funder_display_name":"U.S. National Library of Medicine"},{"id":"https://openalex.org/G1092206068","display_name":null,"funder_award_id":"T15-LM007443","funder_id":"https://openalex.org/F4320337372","funder_display_name":"U.S. National Library of Medicine"},{"id":"https://openalex.org/G3950308283","display_name":"Efficient Data Structures and Algorithms for Genomics Sequence Data","funder_award_id":"5r01lm010235-03","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G5704143197","display_name":"Biomedical Informatics Training Program","funder_award_id":"5t15lm007443-10","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G6708216397","display_name":"Mining Structured Data with Applications in Chemistry and Biology","funder_award_id":"0513376","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320309327","display_name":"Google","ror":"https://ror.org/00njsd438"},{"id":"https://openalex.org/F4320309480","display_name":"Nvidia","ror":"https://ror.org/03jdj4y14"},{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320337372","display_name":"U.S. National Library of Medicine","ror":"https://ror.org/0060t0j89"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2199485679.pdf","grobid_xml":"https://content.openalex.org/works/W2199485679.grobid-xml"},"referenced_works_count":56,"referenced_works":["https://openalex.org/W20279619","https://openalex.org/W1496195305","https://openalex.org/W1498183065","https://openalex.org/W1605923270","https://openalex.org/W1906861545","https://openalex.org/W1980868419","https://openalex.org/W1984635143","https://openalex.org/W1988037271","https://openalex.org/W1988195734","https://openalex.org/W1992095612","https://openalex.org/W1992578437","https://openalex.org/W1999725648","https://openalex.org/W2000541041","https://openalex.org/W2010700988","https://openalex.org/W2016064634","https://openalex.org/W2021574925","https://openalex.org/W2024224430","https://openalex.org/W2026480276","https://openalex.org/W2032271067","https://openalex.org/W2041392558","https://openalex.org/W2045673749","https://openalex.org/W2046589863","https://openalex.org/W2047477183","https://openalex.org/W2057692938","https://openalex.org/W2063011021","https://openalex.org/W2070789802","https://openalex.org/W2078601894","https://openalex.org/W2082252201","https://openalex.org/W2083862357","https://openalex.org/W2085809352","https://openalex.org/W2087134511","https://openalex.org/W2092053124","https://openalex.org/W2093383312","https://openalex.org/W2099536767","https://openalex.org/W2116249365","https://openalex.org/W2126829482","https://openalex.org/W2135088743","https://openalex.org/W2135835957","https://openalex.org/W2137262074","https://openalex.org/W2138512826","https://openalex.org/W2145784250","https://openalex.org/W2146641929","https://openalex.org/W2147122257","https://openalex.org/W2153037537","https://openalex.org/W2153341679","https://openalex.org/W2155653793","https://openalex.org/W2155741020","https://openalex.org/W2162011385","https://openalex.org/W2166845081","https://openalex.org/W2167141095","https://openalex.org/W2167187529","https://openalex.org/W2221269644","https://openalex.org/W2463054001","https://openalex.org/W2496780187","https://openalex.org/W2911964244","https://openalex.org/W4285719527"],"related_works":["https://openalex.org/W4391375266","https://openalex.org/W2899084033","https://openalex.org/W2748952813","https://openalex.org/W1963574378","https://openalex.org/W3186246047","https://openalex.org/W2004647072","https://openalex.org/W2324506988","https://openalex.org/W4281745809","https://openalex.org/W2031570580","https://openalex.org/W2404477942"],"abstract_inverted_index":{"BACKGROUND:":[0],"A":[1],"number":[2],"of":[3,13,32,52,74,77,115,135,165,175,189],"algorithms":[4,80,167],"have":[5],"been":[6],"proposed":[7],"to":[8,38],"predict":[9],"the":[10,20,30,50,75,136,163,176,180,190,199],"biological":[11],"targets":[12],"diverse":[14],"molecules.":[15],"Some":[16],"are":[17,23,195],"structure-based,":[18],"but":[19],"most":[21,188],"common":[22],"ligand-based":[24],"and":[25,29,65,107,193],"use":[26],"chemical":[27,33],"fingerprints":[28],"notion":[31],"similarity.":[34],"These":[35],"methods":[36],"tend":[37],"be":[39],"computationally":[40],"faster":[41],"than":[42],"others,":[43],"making":[44],"them":[45],"particularly":[46],"attractive":[47],"tools":[48],"as":[49],"amount":[51],"available":[53],"data":[54,146],"grows.":[55],"RESULTS:":[56],"Using":[57],"a":[58,71,99,132],"ChEMBL-derived":[59],"database":[60],"covering":[61],"490,760":[62],"molecule-protein":[63],"interactions":[64],"3236":[66],"protein":[67],"targets,":[68],"we":[69,140,152],"conduct":[70],"large-scale":[72],"assessment":[73],"performance":[76,88],"several":[78,166],"target-prediction":[79,170],"at":[81,202],"predicting":[82],"drug-target":[83],"activity.":[84],"We":[85,123],"assess":[86],"algorithm":[87],"using":[89,131,143],"three":[90],"validation":[91,108],"procedures:":[92],"standard":[93],"tenfold":[94,96],"cross-validation,":[95],"cross-validation":[97],"in":[98,119,168,187],"simulated":[100],"screen":[101],"that":[102,142,154],"includes":[103],"random":[104,155],"inactive":[105,156],"molecules,":[106],"on":[109,183],"an":[110],"external":[111],"test":[112,185],"set":[113],"composed":[114],"molecules":[116,157],"not":[117],"present":[118,124],"our":[120],"database.":[121],"CONCLUSIONS:":[122],"two":[125],"improvements":[126],"over":[127],"current":[128],"practice.":[129],"First,":[130],"modified":[133],"version":[134,174],"influence-relevance":[137],"voter":[138],"(IRV),":[139],"show":[141],"molecule":[144],"potency":[145],"can":[147,161],"improve":[148],"target":[149],"prediction.":[150],"Second,":[151],"demonstrate":[153],"added":[158],"during":[159],"training":[160],"boost":[162],"accuracy":[164],"realistic":[169],"experiments.":[171,191],"Our":[172],"potency-sensitive":[173],"IRV":[177],"(PS-IRV)":[178],"obtains":[179],"best":[181],"results":[182],"large":[184],"sets":[186],"Models":[192],"software":[194],"publicly":[196],"accessible":[197],"through":[198],"chemoinformatics":[200],"portal":[201],"http://chemdb.ics.uci.edu/.":[203]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":3},{"year":2018,"cited_by_count":9},{"year":2017,"cited_by_count":10},{"year":2016,"cited_by_count":1}],"updated_date":"2026-08-29T07:29:34.045763","created_date":"2025-10-10T00:00:00"}
