{"id":"https://openalex.org/W4362513574","doi":"https://doi.org/10.1109/tnnls.2023.3261860","title":"Central-Smoothing Hypergraph Neural Networks for Predicting Drug\u2013Drug Interactions","display_name":"Central-Smoothing Hypergraph Neural Networks for Predicting Drug\u2013Drug Interactions","publication_year":2023,"publication_date":"2023-04-03","ids":{"openalex":"https://openalex.org/W4362513574","doi":"https://doi.org/10.1109/tnnls.2023.3261860","pmid":"https://pubmed.ncbi.nlm.nih.gov/37018091"},"language":"en","primary_location":{"id":"doi:10.1109/tnnls.2023.3261860","is_oa":false,"landing_page_url":"https://doi.org/10.1109/tnnls.2023.3261860","pdf_url":null,"source":{"id":"https://openalex.org/S4210175523","display_name":"IEEE Transactions on Neural Networks and Learning Systems","issn_l":"2162-237X","issn":["2162-237X","2162-2388"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319808","host_organization_name":"Institute of Electrical and Electronics Engineers","host_organization_lineage":["https://openalex.org/P4310319808"],"host_organization_lineage_names":["Institute of Electrical and Electronics Engineers"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"IEEE Transactions on Neural Networks and Learning Systems","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/A5101999873","display_name":"\u0110\u1ee9c Anh Nguy\u1ec5n","orcid":"https://orcid.org/0000-0002-9856-2110"},"institutions":[{"id":"https://openalex.org/I22299242","display_name":"Kyoto University","ror":"https://ror.org/02kpeqv85","country_code":"JP","type":"education","lineage":["https://openalex.org/I22299242"]},{"id":"https://openalex.org/I4399598384","display_name":"Kyoto University Institute for Chemical Research","ror":"https://ror.org/0349bbg69","country_code":null,"type":"facility","lineage":["https://openalex.org/I22299242","https://openalex.org/I4399598384"]}],"countries":["JP"],"is_corresponding":true,"raw_author_name":"Duc Anh Nguyen","raw_affiliation_strings":["Bioinformatics Center, Institute for Chemical Research, Kyoto University, Kyoto, Japan","Institute for Chemical Research, Bioinformatics Center, Kyoto University, Kyoto, Japan"],"affiliations":[{"raw_affiliation_string":"Bioinformatics Center, Institute for Chemical Research, Kyoto University, Kyoto, Japan","institution_ids":["https://openalex.org/I22299242","https://openalex.org/I4399598384"]},{"raw_affiliation_string":"Institute for Chemical Research, Bioinformatics Center, Kyoto University, Kyoto, Japan","institution_ids":["https://openalex.org/I22299242"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5061062178","display_name":"Canh Hao Nguyen","orcid":"https://orcid.org/0000-0002-0274-5693"},"institutions":[{"id":"https://openalex.org/I22299242","display_name":"Kyoto University","ror":"https://ror.org/02kpeqv85","country_code":"JP","type":"education","lineage":["https://openalex.org/I22299242"]},{"id":"https://openalex.org/I4399598384","display_name":"Kyoto University Institute for Chemical Research","ror":"https://ror.org/0349bbg69","country_code":null,"type":"facility","lineage":["https://openalex.org/I22299242","https://openalex.org/I4399598384"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Canh Hao Nguyen","raw_affiliation_strings":["Bioinformatics Center, Institute for Chemical Research, Kyoto University, Kyoto, Japan","Institute for Chemical Research, Bioinformatics Center, Kyoto University, Kyoto, Japan"],"affiliations":[{"raw_affiliation_string":"Bioinformatics Center, Institute for Chemical Research, Kyoto University, Kyoto, Japan","institution_ids":["https://openalex.org/I22299242","https://openalex.org/I4399598384"]},{"raw_affiliation_string":"Institute for Chemical Research, Bioinformatics Center, Kyoto University, Kyoto, Japan","institution_ids":["https://openalex.org/I22299242"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5059001924","display_name":"Hiroshi Mamitsuka","orcid":"https://orcid.org/0000-0002-6607-5617"},"institutions":[{"id":"https://openalex.org/I22299242","display_name":"Kyoto University","ror":"https://ror.org/02kpeqv85","country_code":"JP","type":"education","lineage":["https://openalex.org/I22299242"]},{"id":"https://openalex.org/I4399598384","display_name":"Kyoto University Institute for Chemical Research","ror":"https://ror.org/0349bbg69","country_code":null,"type":"facility","lineage":["https://openalex.org/I22299242","https://openalex.org/I4399598384"]},{"id":"https://openalex.org/I9927081","display_name":"Aalto University","ror":"https://ror.org/020hwjq30","country_code":"FI","type":"education","lineage":["https://openalex.org/I9927081"]}],"countries":["FI","JP"],"is_corresponding":false,"raw_author_name":"Hiroshi Mamitsuka","raw_affiliation_strings":["Bioinformatics Center, Institute for Chemical Research, Kyoto University, Kyoto, Japan","Department of Computer Science, Aalto University, Espoo, Finland","Institute for Chemical Research, Bioinformatics Center, Kyoto University, Kyoto, Japan"],"affiliations":[{"raw_affiliation_string":"Bioinformatics Center, Institute for Chemical Research, Kyoto University, Kyoto, Japan","institution_ids":["https://openalex.org/I22299242","https://openalex.org/I4399598384"]},{"raw_affiliation_string":"Department of Computer Science, Aalto University, Espoo, Finland","institution_ids":["https://openalex.org/I9927081"]},{"raw_affiliation_string":"Institute for Chemical Research, Bioinformatics Center, Kyoto University, Kyoto, Japan","institution_ids":["https://openalex.org/I22299242"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5101999873"],"corresponding_institution_ids":["https://openalex.org/I22299242","https://openalex.org/I4399598384"],"apc_list":null,"apc_paid":null,"fwci":4.3674,"has_fulltext":false,"cited_by_count":22,"citation_normalized_percentile":{"value":0.95336598,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":90,"max":100},"biblio":{"volume":"35","issue":"8","first_page":"11620","last_page":"11625"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9994999766349792,"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":0.9994999766349792,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/smoothing","display_name":"Smoothing","score":0.6700358390808105},{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.6465998888015747},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.623482346534729},{"id":"https://openalex.org/keywords/hypergraph","display_name":"Hypergraph","score":0.5592893362045288},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5170793533325195},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.43601012229919434},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.37477752566337585},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.22797062993049622},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.19936707615852356},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.1827760934829712},{"id":"https://openalex.org/keywords/combinatorics","display_name":"Combinatorics","score":0.08161261677742004}],"concepts":[{"id":"https://openalex.org/C3770464","wikidata":"https://www.wikidata.org/wiki/Q775963","display_name":"Smoothing","level":2,"score":0.6700358390808105},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.6465998888015747},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.623482346534729},{"id":"https://openalex.org/C2781221856","wikidata":"https://www.wikidata.org/wiki/Q840247","display_name":"Hypergraph","level":2,"score":0.5592893362045288},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5170793533325195},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.43601012229919434},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.37477752566337585},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.22797062993049622},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.19936707615852356},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.1827760934829712},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.08161261677742004},{"id":"https://openalex.org/C31972630","wikidata":"https://www.wikidata.org/wiki/Q844240","display_name":"Computer vision","level":1,"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":"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":"D004347","descriptor_name":"Drug Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004347","descriptor_name":"Drug Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004347","descriptor_name":"Drug Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004347","descriptor_name":"Drug Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004347","descriptor_name":"Drug Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004347","descriptor_name":"Drug Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"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":"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":"D016571","descriptor_name":"Neural Networks, Computer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016571","descriptor_name":"Neural Networks, Computer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016571","descriptor_name":"Neural Networks, Computer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016571","descriptor_name":"Neural Networks, Computer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016571","descriptor_name":"Neural Networks, Computer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016571","descriptor_name":"Neural Networks, Computer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D064420","descriptor_name":"Drug-Related Side Effects and Adverse Reactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D064420","descriptor_name":"Drug-Related Side Effects and Adverse Reactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D064420","descriptor_name":"Drug-Related Side Effects and Adverse Reactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D064420","descriptor_name":"Drug-Related Side Effects and Adverse Reactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D064420","descriptor_name":"Drug-Related Side Effects and Adverse Reactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D064420","descriptor_name":"Drug-Related Side Effects and Adverse Reactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1109/tnnls.2023.3261860","is_oa":false,"landing_page_url":"https://doi.org/10.1109/tnnls.2023.3261860","pdf_url":null,"source":{"id":"https://openalex.org/S4210175523","display_name":"IEEE Transactions on Neural Networks and Learning Systems","issn_l":"2162-237X","issn":["2162-237X","2162-2388"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319808","host_organization_name":"Institute of Electrical and Electronics Engineers","host_organization_lineage":["https://openalex.org/P4310319808"],"host_organization_lineage_names":["Institute of Electrical and Electronics Engineers"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"IEEE Transactions on Neural Networks and Learning Systems","raw_type":"journal-article"},{"id":"pmid:37018091","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/37018091","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":"IEEE transactions on neural networks and learning systems","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.6000000238418579,"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being"}],"awards":[{"id":"https://openalex.org/G5194206563","display_name":null,"funder_award_id":"22K12150","funder_id":"https://openalex.org/F4320320912","funder_display_name":"Ministry of Education, Culture, Sports, Science and Technology"}],"funders":[{"id":"https://openalex.org/F4320317026","display_name":"Otsuka Toshimi Scholarship Foundation","ror":"https://ror.org/056eg3t49"},{"id":"https://openalex.org/F4320320912","display_name":"Ministry of Education, Culture, Sports, Science and Technology","ror":"https://ror.org/048rj2z13"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":19,"referenced_works":["https://openalex.org/W2110096996","https://openalex.org/W2119002393","https://openalex.org/W2767891136","https://openalex.org/W2786016794","https://openalex.org/W2795380834","https://openalex.org/W2798339053","https://openalex.org/W2892880750","https://openalex.org/W2907492528","https://openalex.org/W2912538255","https://openalex.org/W2945591540","https://openalex.org/W2964015378","https://openalex.org/W2964465226","https://openalex.org/W2965857891","https://openalex.org/W2974658886","https://openalex.org/W2994625500","https://openalex.org/W3085990079","https://openalex.org/W3088680691","https://openalex.org/W3102794373","https://openalex.org/W6736685754"],"related_works":["https://openalex.org/W4376608589","https://openalex.org/W3138003926","https://openalex.org/W4300037846","https://openalex.org/W1630514295","https://openalex.org/W1537073411","https://openalex.org/W2963081352","https://openalex.org/W4376608938","https://openalex.org/W4288275998","https://openalex.org/W2472555608","https://openalex.org/W4214498971"],"abstract_inverted_index":{"Predicting":[0],"drug-drug":[1],"interactions":[2],"(DDIs)":[3],"is":[4,140],"the":[5,76,94,118,122,180],"problem":[6,29,65],"of":[7,13,16,25,42,48,96,125,165,183],"predicting":[8,34],"side":[9,23,37,97],"effects":[10,24],"(unwanted":[11],"outcomes)":[12],"a":[14,45,135,141,151,157,171],"pair":[15,41],"drugs":[17,52,57,146],"using":[18],"drug":[19],"information":[20,74],"and":[21,53,113,147,167],"known":[22,59],"many":[26,87],"pairs.":[27],"This":[28],"can":[30],"be":[31],"formulated":[32],"as":[33,104,134,187,189],"labels":[35,88,103,168],"(i.e.,":[36],"effects)":[38],"for":[39,63,145,150],"each":[40,138],"nodes":[43,50,144,166],"in":[44,75,121,185],"DDI":[46,133],"graph,":[47],"which":[49,71],"are":[51,55,66,86],"edges":[54],"interacting":[56],"with":[58,89,170],"labels.":[60,127],"State-of-the-art":[61],"methods":[62],"this":[64,129],"graph":[67,77],"neural":[68,159],"networks":[69],"(GNNs),":[70],"leverage":[72],"neighborhood":[73],"to":[78,93],"learn":[79],"node":[80,149],"representations.":[81],"For":[82],"DDI,":[83],"however,":[84],"there":[85],"complicated":[90],"relationships":[91,112],"due":[92],"nature":[95],"effects.":[98],"Usual":[99],"GNNs":[100],"often":[101],"fix":[102],"one-hot":[105],"vectors":[106],"that":[107,162],"do":[108,115],"not":[109,116],"reflect":[110],"label":[111],"potentially":[114],"obtain":[117],"highest":[119],"performance":[120,181],"difficult":[123],"cases":[124],"infrequent":[126],"In":[128],"brief,":[130],"we":[131],"formulate":[132],"hypergraph":[136,158],"where":[137],"hyperedge":[139],"triple:":[142],"two":[143],"one":[148],"label.":[152],"We":[153,177],"then":[154],"present":[155],"CentSmoothie,":[156],"network":[160],"(HGNN)":[161],"learns":[163],"representations":[164],"altogether":[169],"novel":[172],"\"":[173,175],"central-smoothing":[174],"formulation.":[176],"empirically":[178],"demonstrate":[179],"advantages":[182],"CentSmoothie":[184],"simulations":[186],"well":[188],"real":[190],"datasets.":[191]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":15},{"year":2024,"cited_by_count":5},{"year":2023,"cited_by_count":1}],"updated_date":"2026-03-27T14:29:43.386196","created_date":"2025-10-10T00:00:00"}