{"id":"https://openalex.org/W4399995443","doi":"https://doi.org/10.1109/jbhi.2024.3419015","title":"Knowledge Graph Neural Network With Spatial-Aware Capsule for Drug-Drug Interaction Prediction","display_name":"Knowledge Graph Neural Network With Spatial-Aware Capsule for Drug-Drug Interaction Prediction","publication_year":2024,"publication_date":"2024-06-25","ids":{"openalex":"https://openalex.org/W4399995443","doi":"https://doi.org/10.1109/jbhi.2024.3419015","pmid":"https://pubmed.ncbi.nlm.nih.gov/38917286"},"language":"en","primary_location":{"id":"doi:10.1109/jbhi.2024.3419015","is_oa":false,"landing_page_url":"https://doi.org/10.1109/jbhi.2024.3419015","pdf_url":null,"source":{"id":"https://openalex.org/S2495854775","display_name":"IEEE Journal of Biomedical and Health Informatics","issn_l":"2168-2194","issn":["2168-2194","2168-2208"],"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 Journal of Biomedical and Health Informatics","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/A5045680312","display_name":"Xiaorui Su","orcid":"https://orcid.org/0000-0001-5468-6085"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210106108","display_name":"Xinjiang Technical Institute of Physics & Chemistry","ror":"https://ror.org/00x44h034","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210106108"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xiaorui Su","raw_affiliation_strings":["Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Urumqi, China"],"raw_orcid":"https://orcid.org/0000-0001-5468-6085","affiliations":[{"raw_affiliation_string":"Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Urumqi, China","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210106108"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5014724927","display_name":"Bo-Wei Zhao","orcid":"https://orcid.org/0000-0001-8200-6016"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210106108","display_name":"Xinjiang Technical Institute of Physics & Chemistry","ror":"https://ror.org/00x44h034","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210106108"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Bowei Zhao","raw_affiliation_strings":["Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Urumqi, China"],"raw_orcid":"https://orcid.org/0000-0001-8200-6016","affiliations":[{"raw_affiliation_string":"Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Urumqi, China","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210106108"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Guodong Li","orcid":"https://orcid.org/0009-0007-8980-0141"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210106108","display_name":"Xinjiang Technical Institute of Physics & Chemistry","ror":"https://ror.org/00x44h034","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210106108"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Guodong Li","raw_affiliation_strings":["Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Urumqi, China"],"raw_orcid":"https://orcid.org/0009-0007-8980-0141","affiliations":[{"raw_affiliation_string":"Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Urumqi, China","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210106108"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103205516","display_name":"Jun Zhang","orcid":"https://orcid.org/0009-0009-8730-6216"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210106108","display_name":"Xinjiang Technical Institute of Physics & Chemistry","ror":"https://ror.org/00x44h034","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210106108"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jun Zhang","raw_affiliation_strings":["Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Urumqi, China"],"raw_orcid":"https://orcid.org/0009-0009-8730-6216","affiliations":[{"raw_affiliation_string":"Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Urumqi, China","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210106108"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5078808331","display_name":"Pengwei Hu","orcid":"https://orcid.org/0000-0001-5974-7932"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210106108","display_name":"Xinjiang Technical Institute of Physics & Chemistry","ror":"https://ror.org/00x44h034","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210106108"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Pengwei Hu","raw_affiliation_strings":["Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Urumqi, China"],"raw_orcid":"https://orcid.org/0000-0001-5974-7932","affiliations":[{"raw_affiliation_string":"Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Urumqi, China","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210106108"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5019805735","display_name":"Zhu\u2010Hong You","orcid":"https://orcid.org/0000-0003-1266-2696"},"institutions":[{"id":"https://openalex.org/I17145004","display_name":"Northwestern Polytechnical University","ror":"https://ror.org/01y0j0j86","country_code":"CN","type":"education","lineage":["https://openalex.org/I17145004"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhuhong You","raw_affiliation_strings":["School of Computer Science, Northwestern Polytechnical University, Xi&#x0027;an, China"],"raw_orcid":"https://orcid.org/0000-0003-1266-2696","affiliations":[{"raw_affiliation_string":"School of Computer Science, Northwestern Polytechnical University, Xi&#x0027;an, China","institution_ids":["https://openalex.org/I17145004"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5008221100","display_name":"Lun Hu","orcid":"https://orcid.org/0000-0002-1591-8549"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210106108","display_name":"Xinjiang Technical Institute of Physics & Chemistry","ror":"https://ror.org/00x44h034","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210106108"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Lun Hu","raw_affiliation_strings":["Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Urumqi, China"],"raw_orcid":"https://orcid.org/0000-0002-1591-8549","affiliations":[{"raw_affiliation_string":"Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Urumqi, China","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210106108"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":6.6655,"has_fulltext":false,"cited_by_count":26,"citation_normalized_percentile":{"value":0.97503397,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":97,"max":100},"biblio":{"volume":"29","issue":"3","first_page":"1771","last_page":"1781"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9914000034332275,"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":0.9914000034332275,"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/computer-science","display_name":"Computer science","score":0.6666871309280396},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.5584457516670227},{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.5080361366271973},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.4831394851207733},{"id":"https://openalex.org/keywords/graph","display_name":"Graph","score":0.42580482363700867},{"id":"https://openalex.org/keywords/drug-drug-interaction","display_name":"Drug-drug interaction","score":0.4132736623287201},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.36626914143562317},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.33094826340675354},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.2162063717842102},{"id":"https://openalex.org/keywords/theoretical-computer-science","display_name":"Theoretical computer science","score":0.17288824915885925},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.08427727222442627}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6666871309280396},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.5584457516670227},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.5080361366271973},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.4831394851207733},{"id":"https://openalex.org/C132525143","wikidata":"https://www.wikidata.org/wiki/Q141488","display_name":"Graph","level":2,"score":0.42580482363700867},{"id":"https://openalex.org/C2910466267","wikidata":"https://www.wikidata.org/wiki/Q718753","display_name":"Drug-drug interaction","level":3,"score":0.4132736623287201},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.36626914143562317},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.33094826340675354},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.2162063717842102},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.17288824915885925},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.08427727222442627}],"mesh":[{"descriptor_ui":"D000098422","descriptor_name":"Graph Neural Networks","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000098422","descriptor_name":"Graph Neural Networks","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000098422","descriptor_name":"Graph Neural Networks","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":"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":"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":false},{"descriptor_ui":"D004347","descriptor_name":"Drug Interactions","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":"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":"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},{"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/jbhi.2024.3419015","is_oa":false,"landing_page_url":"https://doi.org/10.1109/jbhi.2024.3419015","pdf_url":null,"source":{"id":"https://openalex.org/S2495854775","display_name":"IEEE Journal of Biomedical and Health Informatics","issn_l":"2168-2194","issn":["2168-2194","2168-2208"],"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 Journal of Biomedical and Health Informatics","raw_type":"journal-article"},{"id":"pmid:38917286","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/38917286","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 journal of biomedical and health informatics","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1630520351","display_name":null,"funder_award_id":"2021D01D05","funder_id":"https://openalex.org/F4320311028","funder_display_name":"Natural Science Foundation of Xinjiang Province"},{"id":"https://openalex.org/G2828312957","display_name":null,"funder_award_id":"62302495","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G6625888671","display_name":null,"funder_award_id":"2023D01E15","funder_id":"https://openalex.org/F4320311028","funder_display_name":"Natural Science Foundation of Xinjiang Province"},{"id":"https://openalex.org/G826153484","display_name":null,"funder_award_id":"62373348","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"id":"https://openalex.org/F4320311028","display_name":"Natural Science Foundation of Xinjiang Province","ror":null},{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":46,"referenced_works":["https://openalex.org/W1888005072","https://openalex.org/W2038197600","https://openalex.org/W2055317074","https://openalex.org/W2067736173","https://openalex.org/W2091439417","https://openalex.org/W2097308346","https://openalex.org/W2108741133","https://openalex.org/W2153972688","https://openalex.org/W2154851992","https://openalex.org/W2283196293","https://openalex.org/W2393319904","https://openalex.org/W2759136286","https://openalex.org/W2809280072","https://openalex.org/W2912290085","https://openalex.org/W2962975498","https://openalex.org/W2972392269","https://openalex.org/W2987479113","https://openalex.org/W2998496395","https://openalex.org/W3003265726","https://openalex.org/W3012959663","https://openalex.org/W3035011799","https://openalex.org/W3080456792","https://openalex.org/W3087406311","https://openalex.org/W3139253280","https://openalex.org/W3171160983","https://openalex.org/W3201854766","https://openalex.org/W4224322651","https://openalex.org/W4282942883","https://openalex.org/W4286373989","https://openalex.org/W4290712920","https://openalex.org/W4294216483","https://openalex.org/W4382239162","https://openalex.org/W4385245566","https://openalex.org/W4393158757","https://openalex.org/W6678830454","https://openalex.org/W6718112784","https://openalex.org/W6726873649","https://openalex.org/W6738964360","https://openalex.org/W6743446608","https://openalex.org/W6746895014","https://openalex.org/W6747050675","https://openalex.org/W6753562260","https://openalex.org/W6754929296","https://openalex.org/W6758623387","https://openalex.org/W6776488958","https://openalex.org/W6804049574"],"related_works":["https://openalex.org/W3082755771","https://openalex.org/W2395332729","https://openalex.org/W2407625558","https://openalex.org/W2485789143","https://openalex.org/W2415873281","https://openalex.org/W2040338448","https://openalex.org/W2463344692","https://openalex.org/W4248267070","https://openalex.org/W2341529717","https://openalex.org/W4251539487"],"abstract_inverted_index":{"Uncovering":[0],"novel":[1,83],"drug-drug":[2],"interactions":[3],"(DDIs)":[4],"plays":[5],"a":[6,39,82,109,153],"pivotal":[7],"role":[8],"in":[9,29,42,57,206],"advancing":[10],"drug":[11,182],"development":[12,44],"and":[13,65,116,138,166,209],"improving":[14],"clinical":[15],"treatment.":[16],"The":[17,174],"outstanding":[18],"effectiveness":[19,191],"of":[20,32,45,72,114,121,128,140,192],"graph":[21,103,172],"neural":[22],"networks":[23],"(GNNs)":[24],"has":[25,37],"garnered":[26],"significant":[27],"interest":[28],"the":[30,43,59,70,100,119,122,126,136,160,171,190],"field":[31],"DDI":[33,90,207],"prediction.":[34],"Consequently,":[35],"there":[36],"been":[38],"notable":[40],"surge":[41],"network-based":[46],"computational":[47],"approaches":[48,54],"for":[49],"predicting":[50],"DDIs.":[51,187],"However,":[52],"current":[53],"face":[55],"limitations":[56],"capturing":[58],"spatial":[60,95,161],"relationships":[61,96,162],"between":[62,97,142],"neighboring":[63,164],"nodes":[64],"their":[66,167],"higher-level":[67,168],"features":[68,169],"during":[69],"aggregation":[71],"neighbor":[73],"representations.":[74],"To":[75,188],"address":[76],"this":[77,79],"issue,":[78],"study":[80],"introduces":[81,152],"model,":[84],"KGCNN,":[85,193],"designed":[86],"to":[87,147,178,184],"comprehensively":[88],"tackle":[89],"prediction":[91],"tasks":[92],"by":[93],"considering":[94],"molecules":[98,165],"within":[99,170],"biomedical":[101],"knowledge":[102],"(BKG).":[104],"KGCNN":[105,124,151],"is":[106,177],"built":[107],"upon":[108],"message-passing":[110],"GNN":[111],"framework,":[112],"consisting":[113],"propagation":[115,127],"aggregation.":[117],"In":[118,145],"context":[120],"BKG,":[123],"governs":[125],"information":[129,141],"based":[130],"on":[131,197],"semantic":[132],"relationships,":[133],"which":[134,157],"determine":[135],"flow":[137],"exchange":[139],"different":[143],"molecules.":[144],"contrast":[146],"traditional":[148],"linear":[149],"aggregators,":[150],"spatial-aware":[154],"capsule":[155],"aggregator,":[156],"effectively":[158],"captures":[159],"among":[163],"structure.":[173],"ultimate":[175],"goal":[176],"leverage":[179],"these":[180],"learned":[181],"representations":[183],"predict":[185],"potential":[186],"evaluate":[189],"it":[194],"undergoes":[195],"testing":[196],"two":[198],"datasets.":[199],"Extensive":[200],"experimental":[201],"results":[202],"demonstrate":[203],"its":[204],"superiority":[205],"predictions":[208],"quantified":[210],"performance.":[211]},"counts_by_year":[{"year":2026,"cited_by_count":11},{"year":2025,"cited_by_count":11},{"year":2024,"cited_by_count":4}],"updated_date":"2026-07-23T08:03:31.855105","created_date":"2025-10-10T00:00:00"}
