{"id":"https://openalex.org/W4401412286","doi":"https://doi.org/10.1021/acs.jcim.4c01101","title":"DDSBC: A Stacking Ensemble Classifier-Based Approach for Breast Cancer Drug-Pair Cell Synergy Prediction","display_name":"DDSBC: A Stacking Ensemble Classifier-Based Approach for Breast Cancer Drug-Pair Cell Synergy Prediction","publication_year":2024,"publication_date":"2024-08-08","ids":{"openalex":"https://openalex.org/W4401412286","doi":"https://doi.org/10.1021/acs.jcim.4c01101","pmid":"https://pubmed.ncbi.nlm.nih.gov/39116326"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.4c01101","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c01101","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/A5081555190","display_name":"Aamir Mehmood","orcid":"https://orcid.org/0000-0001-8713-966X"},"institutions":[{"id":"https://openalex.org/I183067930","display_name":"Shanghai Jiao Tong University","ror":"https://ror.org/0220qvk04","country_code":"CN","type":"education","lineage":["https://openalex.org/I183067930"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Aamir Mehmood","raw_affiliation_strings":["State Key Laboratory of Microbial Metabolism, Joint International Research Laboratory of Metabolic & Developmental Sciences, and School of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai 200030, P. R. China"],"affiliations":[{"raw_affiliation_string":"State Key Laboratory of Microbial Metabolism, Joint International Research Laboratory of Metabolic & Developmental Sciences, and School of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai 200030, P. R. China","institution_ids":["https://openalex.org/I183067930"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5040534841","display_name":"Aman Chandra Kaushik","orcid":"https://orcid.org/0000-0001-7346-0970"},"institutions":[{"id":"https://openalex.org/I183067930","display_name":"Shanghai Jiao Tong University","ror":"https://ror.org/0220qvk04","country_code":"CN","type":"education","lineage":["https://openalex.org/I183067930"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Aman Chandra Kaushik","raw_affiliation_strings":["State Key Laboratory of Microbial Metabolism, Joint International Research Laboratory of Metabolic & Developmental Sciences, and School of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai 200030, P. R. China"],"affiliations":[{"raw_affiliation_string":"State Key Laboratory of Microbial Metabolism, Joint International Research Laboratory of Metabolic & Developmental Sciences, and School of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai 200030, P. R. China","institution_ids":["https://openalex.org/I183067930"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5041491902","display_name":"Dong\u2010Qing Wei","orcid":"https://orcid.org/0000-0003-4200-7502"},"institutions":[{"id":"https://openalex.org/I183067930","display_name":"Shanghai Jiao Tong University","ror":"https://ror.org/0220qvk04","country_code":"CN","type":"education","lineage":["https://openalex.org/I183067930"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Dong-Qing Wei","raw_affiliation_strings":["State Key Laboratory of Microbial Metabolism, Joint International Research Laboratory of Metabolic & Developmental Sciences, and School of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai 200030, P. R. China"],"affiliations":[{"raw_affiliation_string":"State Key Laboratory of Microbial Metabolism, Joint International Research Laboratory of Metabolic & Developmental Sciences, and School of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai 200030, P. R. China","institution_ids":["https://openalex.org/I183067930"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5041491902"],"corresponding_institution_ids":["https://openalex.org/I183067930"],"apc_list":null,"apc_paid":null,"fwci":5.787,"has_fulltext":false,"cited_by_count":16,"citation_normalized_percentile":{"value":0.96696406,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":99,"max":100},"biblio":{"volume":"64","issue":"16","first_page":"6421","last_page":"6431"},"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":0.9988999962806702,"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/T10885","display_name":"Gene expression and cancer classification","score":0.9979000091552734,"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/machine-learning","display_name":"Machine learning","score":0.6394608020782471},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.6297592520713806},{"id":"https://openalex.org/keywords/classifier","display_name":"Classifier (UML)","score":0.6191654801368713},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.6101869344711304},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5426751375198364},{"id":"https://openalex.org/keywords/breast-cancer","display_name":"Breast cancer","score":0.5272963047027588},{"id":"https://openalex.org/keywords/ensemble-learning","display_name":"Ensemble learning","score":0.5176301598548889},{"id":"https://openalex.org/keywords/drug-target","display_name":"Drug target","score":0.4731360971927643},{"id":"https://openalex.org/keywords/cancer-drugs","display_name":"Cancer drugs","score":0.45619896054267883},{"id":"https://openalex.org/keywords/stacking","display_name":"Stacking","score":0.41694384813308716},{"id":"https://openalex.org/keywords/anticancer-drug","display_name":"Anticancer drug","score":0.4130498170852661},{"id":"https://openalex.org/keywords/cancer","display_name":"Cancer","score":0.2981560230255127},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.2310291826725006},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.12014621496200562},{"id":"https://openalex.org/keywords/internal-medicine","display_name":"Internal medicine","score":0.08006718754768372}],"concepts":[{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.6394608020782471},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.6297592520713806},{"id":"https://openalex.org/C95623464","wikidata":"https://www.wikidata.org/wiki/Q1096149","display_name":"Classifier (UML)","level":2,"score":0.6191654801368713},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.6101869344711304},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5426751375198364},{"id":"https://openalex.org/C530470458","wikidata":"https://www.wikidata.org/wiki/Q128581","display_name":"Breast cancer","level":3,"score":0.5272963047027588},{"id":"https://openalex.org/C45942800","wikidata":"https://www.wikidata.org/wiki/Q245652","display_name":"Ensemble learning","level":2,"score":0.5176301598548889},{"id":"https://openalex.org/C2989108626","wikidata":"https://www.wikidata.org/wiki/Q904407","display_name":"Drug target","level":2,"score":0.4731360971927643},{"id":"https://openalex.org/C3020340455","wikidata":"https://www.wikidata.org/wiki/Q974135","display_name":"Cancer drugs","level":3,"score":0.45619896054267883},{"id":"https://openalex.org/C33347731","wikidata":"https://www.wikidata.org/wiki/Q285210","display_name":"Stacking","level":2,"score":0.41694384813308716},{"id":"https://openalex.org/C3018146709","wikidata":"https://www.wikidata.org/wiki/Q974135","display_name":"Anticancer drug","level":3,"score":0.4130498170852661},{"id":"https://openalex.org/C121608353","wikidata":"https://www.wikidata.org/wiki/Q12078","display_name":"Cancer","level":2,"score":0.2981560230255127},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.2310291826725006},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.12014621496200562},{"id":"https://openalex.org/C126322002","wikidata":"https://www.wikidata.org/wiki/Q11180","display_name":"Internal medicine","level":1,"score":0.08006718754768372},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0},{"id":"https://openalex.org/C46141821","wikidata":"https://www.wikidata.org/wiki/Q209402","display_name":"Nuclear magnetic resonance","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D001943","descriptor_name":"Breast Neoplasms","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":true},{"descriptor_ui":"D001943","descriptor_name":"Breast Neoplasms","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":true},{"descriptor_ui":"D001943","descriptor_name":"Breast Neoplasms","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":true},{"descriptor_ui":"D004357","descriptor_name":"Drug Synergism","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004357","descriptor_name":"Drug Synergism","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004357","descriptor_name":"Drug Synergism","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D005260","descriptor_name":"Female","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D005260","descriptor_name":"Female","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D005260","descriptor_name":"Female","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":"D045744","descriptor_name":"Cell Line, Tumor","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D045744","descriptor_name":"Cell Line, Tumor","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D045744","descriptor_name":"Cell Line, Tumor","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.4c01101","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c01101","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:39116326","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/39116326","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":[{"score":0.6299999952316284,"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3"}],"awards":[{"id":"https://openalex.org/G2424571042","display_name":null,"funder_award_id":"61503244","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G4043378463","display_name":null,"funder_award_id":"61832019","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G836159568","display_name":null,"funder_award_id":"YG2017ZD14","funder_id":"https://openalex.org/F4320322999","funder_display_name":"Shanghai Jiao Tong University"},{"id":"https://openalex.org/G8970540129","display_name":null,"funder_award_id":"2016YFA0501703","funder_id":"https://openalex.org/F4320321540","funder_display_name":"Ministry of Science and Technology of the People's Republic of China"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320321540","display_name":"Ministry of Science and Technology of the People's Republic of China","ror":"https://ror.org/027s68j25"},{"id":"https://openalex.org/F4320322999","display_name":"Shanghai Jiao Tong University","ror":"https://ror.org/0220qvk04"},{"id":"https://openalex.org/F4320326906","display_name":"State Key Laboratory of Microbial Metabolism","ror":null}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":43,"referenced_works":["https://openalex.org/W1983265239","https://openalex.org/W1996486545","https://openalex.org/W2027461913","https://openalex.org/W2029980980","https://openalex.org/W2043398720","https://openalex.org/W2063375278","https://openalex.org/W2088794999","https://openalex.org/W2109390841","https://openalex.org/W2116462976","https://openalex.org/W2125380142","https://openalex.org/W2140239055","https://openalex.org/W2145877930","https://openalex.org/W2148143831","https://openalex.org/W2295598076","https://openalex.org/W2724799126","https://openalex.org/W2768149277","https://openalex.org/W2768977980","https://openalex.org/W2775061087","https://openalex.org/W2801991413","https://openalex.org/W2983154683","https://openalex.org/W3024033076","https://openalex.org/W3082081167","https://openalex.org/W3092034553","https://openalex.org/W3102927640","https://openalex.org/W3104850868","https://openalex.org/W3118751600","https://openalex.org/W3119674813","https://openalex.org/W3120627169","https://openalex.org/W3121361942","https://openalex.org/W3127930610","https://openalex.org/W3164087725","https://openalex.org/W3167096045","https://openalex.org/W3203908308","https://openalex.org/W4214807529","https://openalex.org/W4243150065","https://openalex.org/W4256049924","https://openalex.org/W4297064879","https://openalex.org/W4312114349","https://openalex.org/W4316664463","https://openalex.org/W4365450328","https://openalex.org/W4366835631","https://openalex.org/W4367673946","https://openalex.org/W4383499296"],"related_works":["https://openalex.org/W2035329725","https://openalex.org/W4376641153","https://openalex.org/W2070875936","https://openalex.org/W4250391473","https://openalex.org/W3045075405","https://openalex.org/W4302292679","https://openalex.org/W4241625287","https://openalex.org/W2092838232","https://openalex.org/W4205841424","https://openalex.org/W4205852439"],"abstract_inverted_index":{"Breast":[0],"cancer":[1,79,107,123],"(BC)":[2],"ranks":[3],"as":[4,83,143,145,179,201],"a":[5,44,98,132,202],"leading":[6],"cause":[7],"of":[8,29,51],"mortality":[9],"among":[10],"women":[11],"worldwide,":[12],"with":[13],"incidence":[14],"rates":[15],"continuing":[16],"to":[17,26,34,48],"rise.":[18],"The":[19],"quest":[20],"for":[21,66,105,111,129,149,210,222],"effective":[22],"treatments":[23],"has":[24],"led":[25],"the":[27,49,102,180],"adoption":[28],"drug":[30,36,41,53,150,215],"combination":[31],"therapy,":[32],"aiming":[33],"enhance":[35],"efficacy.":[37],"However,":[38],"identifying":[39,211],"synergistic":[40,212],"combinations":[42],"remains":[43],"daunting":[45],"challenge":[46],"due":[47],"myriad":[50],"potential":[52],"pairs.":[54],"Current":[55],"research":[56],"leverages":[57],"machine":[58],"learning":[59,63],"(ML)":[60],"and":[61,70,159,189,197],"deep":[62],"(DL)":[64],"models":[65,74,119,147],"drug-pair":[67,113],"synergy":[68,104,115,151],"prediction":[69,152],"classification.":[71,116],"Nevertheless,":[72],"these":[73],"often":[75],"underperform":[76],"on":[77,87,162],"specific":[78],"types,":[80,124],"including":[81],"BC,":[82,130,218],"they":[84],"are":[85],"trained":[86],"data":[88],"spanning":[89],"various":[90],"cancers":[91],"without":[92],"any":[93],"specialization.":[94],"Here,":[95],"we":[96],"introduce":[97],"stacking":[99],"ensemble":[100],"classifier,":[101],"drug-drug":[103],"breast":[106],"(DDSBC),":[108],"tailored":[109],"explicitly":[110],"BC":[112,163],"cell":[114],"Unlike":[117],"existing":[118],"that":[120],"generalize":[121],"across":[122,157],"DDSBC":[125,173,176],"is":[126],"exclusively":[127],"developed":[128,148],"offering":[131],"more":[133],"focused":[134],"approach.":[135],"Our":[136],"comparative":[137],"analysis":[138],"against":[139],"classical":[140],"ML":[141],"methods":[142,170],"well":[144],"DL":[146],"highlights":[153],"DDSBC's":[154,195],"superior":[155],"performance":[156,191,196],"test":[158],"independent":[160],"datasets":[161],"data.":[164],"Despite":[165],"certain":[166],"metrics":[167,188],"where":[168],"other":[169],"narrowly":[171],"surpass":[172],"by":[174],"1-2%,":[175],"consistently":[177],"emerges":[178],"top-ranked":[181],"model,":[182],"showcasing":[183],"significant":[184],"differences":[185],"in":[186,192,217],"scoring":[187],"robust":[190],"ablation":[193],"studies.":[194],"practicality":[198],"position":[199],"it":[200],"preferred":[203],"choice":[204],"or":[205,213],"an":[206],"adjunctive":[207],"validation":[208],"tool":[209],"antagonistic":[214],"pairs":[216],"providing":[219],"valuable":[220],"insights":[221],"treatment":[223],"strategies.":[224]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":14}],"updated_date":"2026-03-27T05:58:40.876381","created_date":"2025-10-10T00:00:00"}
