{"id":"https://openalex.org/W7135043855","doi":"https://doi.org/10.1109/tcbbio.2026.3672913","title":"Molecular-Driven Multi-View Hypergraph Contrastive Learning for Drug-Drug Interaction Prediction","display_name":"Molecular-Driven Multi-View Hypergraph Contrastive Learning for Drug-Drug Interaction Prediction","publication_year":2026,"publication_date":"2026-03-12","ids":{"openalex":"https://openalex.org/W7135043855","doi":"https://doi.org/10.1109/tcbbio.2026.3672913","pmid":"https://pubmed.ncbi.nlm.nih.gov/41818014"},"language":"en","primary_location":{"id":"doi:10.1109/tcbbio.2026.3672913","is_oa":false,"landing_page_url":"https://doi.org/10.1109/tcbbio.2026.3672913","pdf_url":null,"source":{"id":"https://openalex.org/S5407042751","display_name":"IEEE Transactions on Computational Biology and Bioinformatics","issn_l":"2998-4165","issn":["2998-4165"],"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"IEEE Transactions on Computational Biology and Bioinformatics","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/A5128908382","display_name":"Xinyu Li","orcid":null},"institutions":[{"id":"https://openalex.org/I43313876","display_name":"Dalian Maritime University","ror":"https://ror.org/002b7nr53","country_code":"CN","type":"education","lineage":["https://openalex.org/I43313876"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xinyu Li","raw_affiliation_strings":["College of Artificial Intelligence, Dalian Maritime University, Dalian, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Artificial Intelligence, Dalian Maritime University, Dalian, China","institution_ids":["https://openalex.org/I43313876"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5128807746","display_name":"Ruijie Li","orcid":null},"institutions":[{"id":"https://openalex.org/I37987034","display_name":"Guangzhou University","ror":"https://ror.org/05ar8rn06","country_code":"CN","type":"education","lineage":["https://openalex.org/I37987034"]},{"id":"https://openalex.org/I889458895","display_name":"University of Hong Kong","ror":"https://ror.org/02zhqgq86","country_code":"HK","type":"education","lineage":["https://openalex.org/I889458895"]}],"countries":["CN","HK"],"is_corresponding":false,"raw_author_name":"Ruijie Li","raw_affiliation_strings":["Information Hub, Hong Kong University of Science and Technology (GuangZhou), Guangzhou, China"],"raw_orcid":"https://orcid.org/0009-0009-1208-4399","affiliations":[{"raw_affiliation_string":"Information Hub, Hong Kong University of Science and Technology (GuangZhou), Guangzhou, China","institution_ids":["https://openalex.org/I37987034","https://openalex.org/I889458895"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5128891248","display_name":"Qiao Ning","orcid":null},"institutions":[{"id":"https://openalex.org/I111599522","display_name":"Jiangnan University","ror":"https://ror.org/04mkzax54","country_code":"CN","type":"education","lineage":["https://openalex.org/I111599522"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Qiao Ning","raw_affiliation_strings":["School of Artificial Intelligence and Computer Science, Jiangnan University, Wuxi, China"],"raw_orcid":"https://orcid.org/0000-0002-4809-5104","affiliations":[{"raw_affiliation_string":"School of Artificial Intelligence and Computer Science, Jiangnan University, Wuxi, China","institution_ids":["https://openalex.org/I111599522"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5128892433","display_name":"Shikai Guo","orcid":null},"institutions":[{"id":"https://openalex.org/I43313876","display_name":"Dalian Maritime University","ror":"https://ror.org/002b7nr53","country_code":"CN","type":"education","lineage":["https://openalex.org/I43313876"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Shikai Guo","raw_affiliation_strings":["School of Information Science and Technology, Dalian Maritime University, Dalian, China"],"raw_orcid":"https://orcid.org/0000-0002-8554-6365","affiliations":[{"raw_affiliation_string":"School of Information Science and Technology, Dalian Maritime University, Dalian, China","institution_ids":["https://openalex.org/I43313876"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5128858266","display_name":"Hui Li","orcid":null},"institutions":[{"id":"https://openalex.org/I43313876","display_name":"Dalian Maritime University","ror":"https://ror.org/002b7nr53","country_code":"CN","type":"education","lineage":["https://openalex.org/I43313876"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Hui Li","raw_affiliation_strings":["School of Information Science and Technology, Dalian Maritime University, Dalian, China"],"raw_orcid":"https://orcid.org/0000-0003-1923-0669","affiliations":[{"raw_affiliation_string":"School of Information Science and Technology, Dalian Maritime University, Dalian, China","institution_ids":["https://openalex.org/I43313876"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5128816031","display_name":"Qian Ma","orcid":null},"institutions":[{"id":"https://openalex.org/I43313876","display_name":"Dalian Maritime University","ror":"https://ror.org/002b7nr53","country_code":"CN","type":"education","lineage":["https://openalex.org/I43313876"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Qian Ma","raw_affiliation_strings":["School of Information Science and Technology, Dalian Maritime University, Dalian, China"],"raw_orcid":"https://orcid.org/0000-0002-7252-9240","affiliations":[{"raw_affiliation_string":"School of Information Science and Technology, Dalian Maritime University, Dalian, China","institution_ids":["https://openalex.org/I43313876"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":4,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.29052971,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"23","issue":"3","first_page":"1214","last_page":"1225"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11273","display_name":"Advanced Graph Neural Networks","score":0.7247999906539917,"subfield":{"id":"https://openalex.org/subfields/1702","display_name":"Artificial Intelligence"},"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/T11273","display_name":"Advanced Graph Neural Networks","score":0.7247999906539917,"subfield":{"id":"https://openalex.org/subfields/1702","display_name":"Artificial Intelligence"},"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.16529999673366547,"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/T13702","display_name":"Machine Learning in Healthcare","score":0.017000000923871994,"subfield":{"id":"https://openalex.org/subfields/1702","display_name":"Artificial Intelligence"},"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/hypergraph","display_name":"Hypergraph","score":0.4690000116825104},{"id":"https://openalex.org/keywords/feature","display_name":"Feature (linguistics)","score":0.35690000653266907},{"id":"https://openalex.org/keywords/generalization","display_name":"Generalization","score":0.2815999984741211},{"id":"https://openalex.org/keywords/semantics","display_name":"Semantics (computer science)","score":0.2809999883174896},{"id":"https://openalex.org/keywords/matching","display_name":"Matching (statistics)","score":0.27079999446868896},{"id":"https://openalex.org/keywords/identification","display_name":"Identification (biology)","score":0.2678999900817871}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5360999703407288},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.5210999846458435},{"id":"https://openalex.org/C2781221856","wikidata":"https://www.wikidata.org/wiki/Q840247","display_name":"Hypergraph","level":2,"score":0.4690000116825104},{"id":"https://openalex.org/C2776401178","wikidata":"https://www.wikidata.org/wiki/Q12050496","display_name":"Feature (linguistics)","level":2,"score":0.35690000653266907},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.335099995136261},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.2946000099182129},{"id":"https://openalex.org/C204321447","wikidata":"https://www.wikidata.org/wiki/Q30642","display_name":"Natural language processing","level":1,"score":0.2840999960899353},{"id":"https://openalex.org/C177148314","wikidata":"https://www.wikidata.org/wiki/Q170084","display_name":"Generalization","level":2,"score":0.2815999984741211},{"id":"https://openalex.org/C184337299","wikidata":"https://www.wikidata.org/wiki/Q1437428","display_name":"Semantics (computer science)","level":2,"score":0.2809999883174896},{"id":"https://openalex.org/C165064840","wikidata":"https://www.wikidata.org/wiki/Q1321061","display_name":"Matching (statistics)","level":2,"score":0.27079999446868896},{"id":"https://openalex.org/C116834253","wikidata":"https://www.wikidata.org/wiki/Q2039217","display_name":"Identification (biology)","level":2,"score":0.2678999900817871},{"id":"https://openalex.org/C2777212361","wikidata":"https://www.wikidata.org/wiki/Q5127848","display_name":"Class (philosophy)","level":2,"score":0.26589998602867126},{"id":"https://openalex.org/C77618280","wikidata":"https://www.wikidata.org/wiki/Q1155772","display_name":"Scheme (mathematics)","level":2,"score":0.25130000710487366},{"id":"https://openalex.org/C2776359362","wikidata":"https://www.wikidata.org/wiki/Q2145286","display_name":"Representation (politics)","level":3,"score":0.25099998712539673}],"mesh":[{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000098412","descriptor_name":"Predictive Learning Models","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000098437","descriptor_name":"Prediction 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":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000737","qualifier_name":"chemistry","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":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1109/tcbbio.2026.3672913","is_oa":false,"landing_page_url":"https://doi.org/10.1109/tcbbio.2026.3672913","pdf_url":null,"source":{"id":"https://openalex.org/S5407042751","display_name":"IEEE Transactions on Computational Biology and Bioinformatics","issn_l":"2998-4165","issn":["2998-4165"],"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"IEEE Transactions on Computational Biology and Bioinformatics","raw_type":"journal-article"},{"id":"pmid:41818014","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/41818014","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 computational biology and bioinformatics","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1523728219","display_name":null,"funder_award_id":"62302075","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G5115456232","display_name":null,"funder_award_id":"JUSRP202501137","funder_id":"https://openalex.org/F4320335787","funder_display_name":"Fundamental Research Funds for the Central Universities"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320335787","display_name":"Fundamental Research Funds for the Central Universities","ror":null}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":[],"abstract_inverted_index":{"Recent":[0],"concerns":[1],"have":[2,27],"arisen":[3],"over":[4,185],"adverse":[5],"reactions":[6],"caused":[7],"by":[8,20],"drug":[9,30,37,78,123],"combinations,":[10],"and":[11,87,97,108,127,143,154,191],"drug-drug":[12],"interaction":[13],"(DDI)":[14],"prediction":[15],"helps":[16],"identify":[17],"potential":[18],"risks":[19],"forecasting":[21],"interactions":[22,31],"between":[23,139,150],"drugs.":[24],"Previous":[25],"methods":[26],"primarily":[28],"explored":[29],"from":[32,163],"the":[33,41,46,69,74,105,116,140,144,151,155,160,164],"superficial":[34],"level":[35],"of":[36,45,77,183],"molecules,":[38],"often":[39],"overlooking":[40],"internal":[42,75],"structural":[43,85,106,125,141],"information":[44,76],"molecules.":[47],"To":[48],"this":[49,65],"end,":[50],"we":[51,67,101,168],"propose":[52],"Mol-HCL,":[53],"a":[54,110,180],"multi-view":[55],"hypergraph":[56,142,153],"contrastive":[57,135],"learning":[58,136],"framework":[59],"based":[60,81],"on":[61,82,171],"molecular":[62,70,145,156,165],"view.":[63,89,166],"In":[64],"framework,":[66],"construct":[68],"view":[71,86,107,118],"to":[72,119,158],"learn":[73,94],"molecules":[79],"and,":[80],"this,":[83],"develop":[84],"semantic":[88,117,131,152],"These":[90],"three":[91],"views":[92],"collaboratively":[93],"both":[95],"intra-molecular":[96],"inter-molecular":[98],"information.":[99,132],"Subsequently,":[100],"incorporate":[102],"hypernodes":[103],"into":[104,115],"design":[109],"novel":[111],"hyperchain,":[112],"integrating":[113],"it":[114],"capture":[120],"latent":[121],"neighbor":[122],"node":[124],"relationships":[126],"long-range":[128],"DDI":[129,194],"chain":[130],"After":[133],"that,":[134],"is":[137],"performed":[138],"view,":[146,157],"as":[147,149],"well":[148],"enhance":[159],"representations":[161],"learned":[162],"Finally,":[167],"conduct":[169],"experiments":[170],"two":[172],"real-world":[173],"scientific":[174],"datasets.":[175],"The":[176],"experimental":[177],"results":[178],"demonstrate":[179],"significant":[181],"improvement":[182],"Mol-HCL":[184],"existing":[186],"methods,":[187],"showcasing":[188],"its":[189],"effectiveness":[190],"advantages":[192],"in":[193],"prediction.":[195]},"counts_by_year":[],"updated_date":"2026-07-23T08:03:31.855105","created_date":"2026-03-13T00:00:00"}