{"id":"https://openalex.org/W2165863045","doi":"https://doi.org/10.1371/journal.pcbi.1002323","title":"Prediction of Drug Combinations by Integrating Molecular and Pharmacological Data","display_name":"Prediction of Drug Combinations by Integrating Molecular and Pharmacological Data","publication_year":2011,"publication_date":"2011-12-29","ids":{"openalex":"https://openalex.org/W2165863045","doi":"https://doi.org/10.1371/journal.pcbi.1002323","mag":"2165863045"},"language":"en","primary_location":{"id":"doi:10.1371/journal.pcbi.1002323","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1002323","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1002323&type=printable","source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLoS Computational Biology","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1002323&type=printable","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5049435754","display_name":"Xing\u2010Ming Zhao","orcid":"https://orcid.org/0000-0002-4531-3970"},"institutions":[{"id":"https://openalex.org/I4210138560","display_name":"European Molecular Biology Laboratory","ror":"https://ror.org/03mstc592","country_code":"DE","type":"government","lineage":["https://openalex.org/I4210138560"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Xing-Ming Zhao","raw_affiliation_strings":["European Molecular Biology Laboratory (EMBL), Heidelberg, Germany"],"affiliations":[{"raw_affiliation_string":"European Molecular Biology Laboratory (EMBL), Heidelberg, Germany","institution_ids":["https://openalex.org/I4210138560"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5086962442","display_name":"Murat Iskar","orcid":"https://orcid.org/0000-0001-8603-4313"},"institutions":[{"id":"https://openalex.org/I4210138560","display_name":"European Molecular Biology Laboratory","ror":"https://ror.org/03mstc592","country_code":"DE","type":"government","lineage":["https://openalex.org/I4210138560"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Murat Iskar","raw_affiliation_strings":["European Molecular Biology Laboratory (EMBL), Heidelberg, Germany"],"affiliations":[{"raw_affiliation_string":"European Molecular Biology Laboratory (EMBL), Heidelberg, Germany","institution_ids":["https://openalex.org/I4210138560"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5031822697","display_name":"Georg Zeller","orcid":"https://orcid.org/0000-0003-1429-7485"},"institutions":[{"id":"https://openalex.org/I4210138560","display_name":"European Molecular Biology Laboratory","ror":"https://ror.org/03mstc592","country_code":"DE","type":"government","lineage":["https://openalex.org/I4210138560"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Georg Zeller","raw_affiliation_strings":["European Molecular Biology Laboratory (EMBL), Heidelberg, Germany"],"affiliations":[{"raw_affiliation_string":"European Molecular Biology Laboratory (EMBL), Heidelberg, Germany","institution_ids":["https://openalex.org/I4210138560"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5083798629","display_name":"Michael Kuhn","orcid":"https://orcid.org/0000-0002-2841-872X"},"institutions":[{"id":"https://openalex.org/I78650965","display_name":"TU Dresden","ror":"https://ror.org/042aqky30","country_code":"DE","type":"education","lineage":["https://openalex.org/I78650965"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Michael Kuhn","raw_affiliation_strings":["Biotechnology Center, Technical University Dresden, Dresden, Germany"],"affiliations":[{"raw_affiliation_string":"Biotechnology Center, Technical University Dresden, Dresden, Germany","institution_ids":["https://openalex.org/I78650965"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5002077696","display_name":"Vera van Noort","orcid":"https://orcid.org/0000-0002-8436-6602"},"institutions":[{"id":"https://openalex.org/I4210138560","display_name":"European Molecular Biology Laboratory","ror":"https://ror.org/03mstc592","country_code":"DE","type":"government","lineage":["https://openalex.org/I4210138560"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Vera van Noort","raw_affiliation_strings":["European Molecular Biology Laboratory (EMBL), Heidelberg, Germany"],"affiliations":[{"raw_affiliation_string":"European Molecular Biology Laboratory (EMBL), Heidelberg, Germany","institution_ids":["https://openalex.org/I4210138560"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5074309419","display_name":"Peer Bork","orcid":"https://orcid.org/0000-0002-2627-833X"},"institutions":[{"id":"https://openalex.org/I205582932","display_name":"Max Delbr\u00fcck Center","ror":"https://ror.org/04p5ggc03","country_code":"DE","type":"facility","lineage":["https://openalex.org/I1305996414","https://openalex.org/I205582932"]},{"id":"https://openalex.org/I4210138560","display_name":"European Molecular Biology Laboratory","ror":"https://ror.org/03mstc592","country_code":"DE","type":"government","lineage":["https://openalex.org/I4210138560"]}],"countries":["DE"],"is_corresponding":true,"raw_author_name":"Peer Bork","raw_affiliation_strings":["European Molecular Biology Laboratory (EMBL), Heidelberg, Germany","Max-Delbr\u00fcck-Centre for Molecular Medicine, Berlin, Germany"],"affiliations":[{"raw_affiliation_string":"European Molecular Biology Laboratory (EMBL), Heidelberg, Germany","institution_ids":["https://openalex.org/I4210138560"]},{"raw_affiliation_string":"Max-Delbr\u00fcck-Centre for Molecular Medicine, Berlin, Germany","institution_ids":["https://openalex.org/I205582932"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5074309419"],"corresponding_institution_ids":["https://openalex.org/I205582932","https://openalex.org/I4210138560"],"apc_list":{"value":2655,"currency":"USD","value_usd":2655},"apc_paid":{"value":2655,"currency":"USD","value_usd":2655},"fwci":13.0011,"has_fulltext":true,"cited_by_count":208,"citation_normalized_percentile":{"value":0.99239544,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":97,"max":100},"biblio":{"volume":"7","issue":"12","first_page":"e1002323","last_page":"e1002323"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998999834060669,"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":0.9998999834060669,"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/T10887","display_name":"Bioinformatics and Genomic Networks","score":0.940500020980835,"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/T10252","display_name":"Microbial Natural Products and Biosynthesis","score":0.9133999943733215,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.6854164600372314},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5776442885398865},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.47215771675109863},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.4651912748813629},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.41829633712768555},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.3560824990272522},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.2974546253681183},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.22038373351097107},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.20249834656715393},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.16006579995155334}],"concepts":[{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.6854164600372314},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5776442885398865},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.47215771675109863},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.4651912748813629},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.41829633712768555},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.3560824990272522},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.2974546253681183},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.22038373351097107},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.20249834656715393},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.16006579995155334}],"mesh":[],"locations_count":5,"locations":[{"id":"doi:10.1371/journal.pcbi.1002323","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1002323","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1002323&type=printable","source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLoS Computational Biology","raw_type":"journal-article"},{"id":"pmh:oai:edoc.mdc-berlin.de:13191","is_oa":false,"landing_page_url":null,"pdf_url":null,"source":{"id":"https://openalex.org/S4306400224","display_name":"MDC Repository (Max-Delbrueck-Center for Molecular Medicine)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I149899117","host_organization_name":"Max Planck Society","host_organization_lineage":["https://openalex.org/I149899117"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":"","raw_type":"Article"},{"id":"pmh:oai:doaj.org/article:38000355d8c24fcfb4f04ce0230d5de4","is_oa":true,"landing_page_url":"https://doaj.org/article/38000355d8c24fcfb4f04ce0230d5de4","pdf_url":null,"source":{"id":"https://openalex.org/S112646816","display_name":"SHILAP Revista de lepidopterolog\u00eda","issn_l":"0300-5267","issn":["0300-5267","2340-4078"],"is_oa":true,"is_in_doaj":true,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"PLoS Computational Biology, Vol 7, Iss 12, p e1002323 (2011)","raw_type":"article"},{"id":"pmh:oai:europepmc.org:2259904","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3248384","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:oai:figshare.com:article/130038","is_oa":true,"landing_page_url":"https://figshare.com/articles/dataset/Prediction_of_Drug_Combinations_by_Integrating_Molecular_and_Pharmacological_Data/130038","pdf_url":null,"source":{"id":"https://openalex.org/S4377196282","display_name":"Figshare","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210132348","host_organization_name":"Figshare (United Kingdom)","host_organization_lineage":["https://openalex.org/I4210132348"],"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":"","raw_type":"Dataset"}],"best_oa_location":{"id":"doi:10.1371/journal.pcbi.1002323","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1002323","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1002323&type=printable","source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLoS Computational Biology","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","score":0.7599999904632568,"display_name":"Good health and well-being"}],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2165863045.pdf","grobid_xml":"https://content.openalex.org/works/W2165863045.grobid-xml"},"referenced_works_count":37,"referenced_works":["https://openalex.org/W90362830","https://openalex.org/W1270834676","https://openalex.org/W1975180379","https://openalex.org/W1976050604","https://openalex.org/W1988135937","https://openalex.org/W2007287574","https://openalex.org/W2023947478","https://openalex.org/W2034537627","https://openalex.org/W2044025814","https://openalex.org/W2059006070","https://openalex.org/W2061136308","https://openalex.org/W2068326740","https://openalex.org/W2082917156","https://openalex.org/W2094791588","https://openalex.org/W2096439168","https://openalex.org/W2098889731","https://openalex.org/W2103017472","https://openalex.org/W2103943763","https://openalex.org/W2109322740","https://openalex.org/W2113355164","https://openalex.org/W2115147179","https://openalex.org/W2128205836","https://openalex.org/W2129916980","https://openalex.org/W2135306073","https://openalex.org/W2137052779","https://openalex.org/W2138470202","https://openalex.org/W2138512826","https://openalex.org/W2139516171","https://openalex.org/W2142572836","https://openalex.org/W2154896031","https://openalex.org/W2156761481","https://openalex.org/W2158976881","https://openalex.org/W2166966711","https://openalex.org/W2171437346","https://openalex.org/W2346826281","https://openalex.org/W2977393556","https://openalex.org/W6603694148"],"related_works":["https://openalex.org/W2961085424","https://openalex.org/W4306674287","https://openalex.org/W4286629047","https://openalex.org/W3046775127","https://openalex.org/W3107602296","https://openalex.org/W3170094116","https://openalex.org/W4386462264","https://openalex.org/W4313488044","https://openalex.org/W3209574120","https://openalex.org/W4312192474"],"abstract_inverted_index":{"Combinatorial":[0],"therapy":[1],"is":[2,24],"a":[3,35,54,141],"promising":[4],"strategy":[5],"for":[6,85,149],"combating":[7],"complex":[8],"disorders":[9],"due":[10],"to":[11,39,131,144],"improved":[12],"efficacy":[13],"and":[14,46,139],"reduced":[15],"side":[16],"effects.":[17],"However,":[18],"screening":[19],"new":[20,86,142,150],"drug":[21,41,79,87,121,137],"combinations":[22,29,42,80,88,138],"exhaustively":[23],"impractical":[25],"considering":[26],"all":[27],"possible":[28],"between":[30],"drugs.":[31],"Here,":[32],"we":[33,71],"present":[34],"novel":[36,119],"computational":[37],"approach":[38,128],"predict":[40],"by":[43,53,113],"integrating":[44,66],"molecular":[45],"pharmacological":[47],"data.":[48],"Specifically,":[49],"drugs":[50,148],"are":[51,81,111],"represented":[52],"set":[55],"of":[56,68,107,136],"their":[57,61],"properties,":[58],"such":[59],"as":[60],"targets":[62],"or":[63],"indications.":[64],"By":[65],"several":[67],"these":[69],"features,":[70],"show":[72],"that":[73,101,125],"feature":[74],"patterns":[75],"enriched":[76],"in":[77],"approved":[78],"not":[82],"only":[83],"predictive":[84],"but":[89],"also":[90],"provide":[91,140],"insights":[92],"into":[93],"mechanisms":[94],"underlying":[95],"combinatorial":[96],"therapy.":[97],"Further":[98],"analysis":[99],"confirmed":[100],"among":[102],"our":[103,126],"top":[104],"ranked":[105],"predictions":[106],"effective":[108],"combinations,":[109],"69%":[110],"supported":[112],"literature,":[114],"while":[115],"the":[116,133],"others":[117],"represent":[118],"potential":[120],"combinations.":[122],"We":[123],"believe":[124],"proposed":[127],"can":[129],"help":[130],"limit":[132],"search":[134],"space":[135],"way":[143],"effectively":[145],"utilize":[146],"existing":[147],"purposes.":[151]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":11},{"year":2024,"cited_by_count":12},{"year":2023,"cited_by_count":10},{"year":2022,"cited_by_count":14},{"year":2021,"cited_by_count":20},{"year":2020,"cited_by_count":19},{"year":2019,"cited_by_count":18},{"year":2018,"cited_by_count":20},{"year":2017,"cited_by_count":16},{"year":2016,"cited_by_count":11},{"year":2015,"cited_by_count":16},{"year":2014,"cited_by_count":16},{"year":2013,"cited_by_count":14},{"year":2012,"cited_by_count":10}],"updated_date":"2026-03-06T13:50:29.536080","created_date":"2025-10-10T00:00:00"}