{"id":"https://openalex.org/W7154076846","doi":"https://doi.org/10.1021/acs.jcim.5c03060","title":"Development, Evaluation and Application of a Multi-Representation Fusion Model for Accurate Prediction of Per- and Polyfluoroalkyl Substance (PFAS) Binding to Plasma Proteins","display_name":"Development, Evaluation and Application of a Multi-Representation Fusion Model for Accurate Prediction of Per- and Polyfluoroalkyl Substance (PFAS) Binding to Plasma Proteins","publication_year":2026,"publication_date":"2026-04-13","ids":{"openalex":"https://openalex.org/W7154076846","doi":"https://doi.org/10.1021/acs.jcim.5c03060","pmid":"https://pubmed.ncbi.nlm.nih.gov/41968914"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.5c03060","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5c03060","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/A5059060594","display_name":"Junshan Han","orcid":"https://orcid.org/0000-0003-4232-038X"},"institutions":[{"id":"https://openalex.org/I2802541053","display_name":"Academy of Military Medical Sciences","ror":"https://ror.org/02bv3c993","country_code":"CN","type":"facility","lineage":["https://openalex.org/I2802541053"]},{"id":"https://openalex.org/I4210088961","display_name":"Biotechnology Research Center","ror":"https://ror.org/013t96v18","country_code":"IR","type":"facility","lineage":["https://openalex.org/I163205636","https://openalex.org/I4210088961"]},{"id":"https://openalex.org/I4210090951","display_name":"Advanced Pharma","ror":"https://ror.org/00c3pmw05","country_code":"US","type":"facility","lineage":["https://openalex.org/I4210090951"]}],"countries":["CN","IR","US"],"is_corresponding":false,"raw_author_name":"Junshan Han","raw_affiliation_strings":["Academy of Military Medical Sciences","Department of Advanced & Interdisciplinary Biotechnology"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Academy of Military Medical Sciences","institution_ids":["https://openalex.org/I2802541053"]},{"raw_affiliation_string":"Department of Advanced & Interdisciplinary Biotechnology","institution_ids":["https://openalex.org/I4210088961","https://openalex.org/I4210090951"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5133519374","display_name":"Xinyu Song","orcid":null},"institutions":[{"id":"https://openalex.org/I2802541053","display_name":"Academy of Military Medical Sciences","ror":"https://ror.org/02bv3c993","country_code":"CN","type":"facility","lineage":["https://openalex.org/I2802541053"]},{"id":"https://openalex.org/I4210088961","display_name":"Biotechnology Research Center","ror":"https://ror.org/013t96v18","country_code":"IR","type":"facility","lineage":["https://openalex.org/I163205636","https://openalex.org/I4210088961"]},{"id":"https://openalex.org/I4210090951","display_name":"Advanced Pharma","ror":"https://ror.org/00c3pmw05","country_code":"US","type":"facility","lineage":["https://openalex.org/I4210090951"]}],"countries":["CN","IR","US"],"is_corresponding":false,"raw_author_name":"Xinyu Song","raw_affiliation_strings":["Academy of Military Medical Sciences","Department of Advanced & Interdisciplinary Biotechnology"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Academy of Military Medical Sciences","institution_ids":["https://openalex.org/I2802541053"]},{"raw_affiliation_string":"Department of Advanced & Interdisciplinary Biotechnology","institution_ids":["https://openalex.org/I4210088961","https://openalex.org/I4210090951"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Duoyun Yi","orcid":"https://orcid.org/0000-0003-3170-4855"},"institutions":[{"id":"https://openalex.org/I113940042","display_name":"Shanghai University","ror":"https://ror.org/006teas31","country_code":"CN","type":"education","lineage":["https://openalex.org/I113940042"]},{"id":"https://openalex.org/I4210157642","display_name":"Institute of Automation","ror":"https://ror.org/056qj1t15","country_code":"DE","type":"facility","lineage":["https://openalex.org/I4210157642","https://openalex.org/I78650965"]}],"countries":["CN","DE"],"is_corresponding":false,"raw_author_name":"Duoyun Yi","raw_affiliation_strings":["Shanghai Key Laboratory of Power Station Automation Technology, School of Mechatronics Engineering and Automation","Shanghai University"],"raw_orcid":"https://orcid.org/0000-0003-3170-4855","affiliations":[{"raw_affiliation_string":"Shanghai Key Laboratory of Power Station Automation Technology, School of Mechatronics Engineering and Automation","institution_ids":["https://openalex.org/I4210157642"]},{"raw_affiliation_string":"Shanghai University","institution_ids":["https://openalex.org/I113940042"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5031023891","display_name":"Y Zhang","orcid":null},"institutions":[{"id":"https://openalex.org/I2802541053","display_name":"Academy of Military Medical Sciences","ror":"https://ror.org/02bv3c993","country_code":"CN","type":"facility","lineage":["https://openalex.org/I2802541053"]},{"id":"https://openalex.org/I4210088961","display_name":"Biotechnology Research Center","ror":"https://ror.org/013t96v18","country_code":"IR","type":"facility","lineage":["https://openalex.org/I163205636","https://openalex.org/I4210088961"]},{"id":"https://openalex.org/I4210090951","display_name":"Advanced Pharma","ror":"https://ror.org/00c3pmw05","country_code":"US","type":"facility","lineage":["https://openalex.org/I4210090951"]}],"countries":["CN","IR","US"],"is_corresponding":false,"raw_author_name":"Yixin Zhang","raw_affiliation_strings":["Academy of Military Medical Sciences","Department of Advanced & Interdisciplinary Biotechnology"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Academy of Military Medical Sciences","institution_ids":["https://openalex.org/I2802541053"]},{"raw_affiliation_string":"Department of Advanced & Interdisciplinary Biotechnology","institution_ids":["https://openalex.org/I4210088961","https://openalex.org/I4210090951"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5090096141","display_name":"Yu Guo Chu","orcid":null},"institutions":[{"id":"https://openalex.org/I157773358","display_name":"Sun Yat-sen University","ror":"https://ror.org/0064kty71","country_code":"CN","type":"education","lineage":["https://openalex.org/I157773358"]},{"id":"https://openalex.org/I4210098034","display_name":"Key Laboratory of Guangdong Province","ror":"https://ror.org/00swtqp09","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210098034"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yu Chu","raw_affiliation_strings":["Guangdong Provincial Key Laboratory of Food, Nutrition and Health, Department of Toxicology, School of Public Health","Sun Yat-sen University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Guangdong Provincial Key Laboratory of Food, Nutrition and Health, Department of Toxicology, School of Public Health","institution_ids":["https://openalex.org/I4210098034"]},{"raw_affiliation_string":"Sun Yat-sen University","institution_ids":["https://openalex.org/I157773358"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Yanhong Wei","orcid":"https://orcid.org/0000-0002-3398-5657"},"institutions":[{"id":"https://openalex.org/I157773358","display_name":"Sun Yat-sen University","ror":"https://ror.org/0064kty71","country_code":"CN","type":"education","lineage":["https://openalex.org/I157773358"]},{"id":"https://openalex.org/I4210098034","display_name":"Key Laboratory of Guangdong Province","ror":"https://ror.org/00swtqp09","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210098034"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Yanhong Wei","raw_affiliation_strings":["Guangdong Provincial Key Laboratory of Food, Nutrition and Health, Department of Toxicology, School of Public Health","Sun Yat-sen University"],"raw_orcid":"https://orcid.org/0000-0002-3398-5657","affiliations":[{"raw_affiliation_string":"Guangdong Provincial Key Laboratory of Food, Nutrition and Health, Department of Toxicology, School of Public Health","institution_ids":["https://openalex.org/I4210098034"]},{"raw_affiliation_string":"Sun Yat-sen University","institution_ids":["https://openalex.org/I157773358"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100680468","display_name":"Song He","orcid":"https://orcid.org/0000-0002-4136-6151"},"institutions":[{"id":"https://openalex.org/I2802541053","display_name":"Academy of Military Medical Sciences","ror":"https://ror.org/02bv3c993","country_code":"CN","type":"facility","lineage":["https://openalex.org/I2802541053"]},{"id":"https://openalex.org/I4210088961","display_name":"Biotechnology Research Center","ror":"https://ror.org/013t96v18","country_code":"IR","type":"facility","lineage":["https://openalex.org/I163205636","https://openalex.org/I4210088961"]},{"id":"https://openalex.org/I4210090951","display_name":"Advanced Pharma","ror":"https://ror.org/00c3pmw05","country_code":"US","type":"facility","lineage":["https://openalex.org/I4210090951"]}],"countries":["CN","IR","US"],"is_corresponding":true,"raw_author_name":"Song He","raw_affiliation_strings":["Academy of Military Medical Sciences","Department of Advanced & Interdisciplinary Biotechnology"],"raw_orcid":"https://orcid.org/0000-0002-4136-6151","affiliations":[{"raw_affiliation_string":"Academy of Military Medical Sciences","institution_ids":["https://openalex.org/I2802541053"]},{"raw_affiliation_string":"Department of Advanced & Interdisciplinary Biotechnology","institution_ids":["https://openalex.org/I4210088961","https://openalex.org/I4210090951"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5133484931","display_name":"Xiaochen Bo","orcid":null},"institutions":[{"id":"https://openalex.org/I2802541053","display_name":"Academy of Military Medical Sciences","ror":"https://ror.org/02bv3c993","country_code":"CN","type":"facility","lineage":["https://openalex.org/I2802541053"]},{"id":"https://openalex.org/I4210088961","display_name":"Biotechnology Research Center","ror":"https://ror.org/013t96v18","country_code":"IR","type":"facility","lineage":["https://openalex.org/I163205636","https://openalex.org/I4210088961"]},{"id":"https://openalex.org/I4210090951","display_name":"Advanced Pharma","ror":"https://ror.org/00c3pmw05","country_code":"US","type":"facility","lineage":["https://openalex.org/I4210090951"]}],"countries":["CN","IR","US"],"is_corresponding":true,"raw_author_name":"Xiaochen Bo","raw_affiliation_strings":["Academy of Military Medical Sciences","Department of Advanced & Interdisciplinary Biotechnology"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Academy of Military Medical Sciences","institution_ids":["https://openalex.org/I2802541053"]},{"raw_affiliation_string":"Department of Advanced & Interdisciplinary Biotechnology","institution_ids":["https://openalex.org/I4210088961","https://openalex.org/I4210090951"]}]}],"institutions":[],"countries_distinct_count":4,"institutions_distinct_count":8,"corresponding_author_ids":["https://openalex.org/A5100680468","https://openalex.org/A5133484931"],"corresponding_institution_ids":["https://openalex.org/I157773358","https://openalex.org/I2802541053","https://openalex.org/I4210088961","https://openalex.org/I4210090951","https://openalex.org/I4210098034"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.80529664,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"66","issue":"8","first_page":"4382","last_page":"4397"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11869","display_name":"Per- and polyfluoroalkyl substances research","score":0.998199999332428,"subfield":{"id":"https://openalex.org/subfields/2304","display_name":"Environmental Chemistry"},"field":{"id":"https://openalex.org/fields/23","display_name":"Environmental Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11869","display_name":"Per- and polyfluoroalkyl substances research","score":0.998199999332428,"subfield":{"id":"https://openalex.org/subfields/2304","display_name":"Environmental Chemistry"},"field":{"id":"https://openalex.org/fields/23","display_name":"Environmental Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10947","display_name":"Fluorine in Organic Chemistry","score":0.00019999999494757503,"subfield":{"id":"https://openalex.org/subfields/3003","display_name":"Pharmaceutical Science"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11908","display_name":"Protein Interaction Studies and Fluorescence Analysis","score":0.00019999999494757503,"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/human-serum-albumin","display_name":"Human serum albumin","score":0.5763999819755554},{"id":"https://openalex.org/keywords/bioaccumulation","display_name":"Bioaccumulation","score":0.5705999732017517},{"id":"https://openalex.org/keywords/fusion","display_name":"Fusion","score":0.5465999841690063},{"id":"https://openalex.org/keywords/human-health","display_name":"Human health","score":0.5138000249862671},{"id":"https://openalex.org/keywords/human-plasma","display_name":"Human plasma","score":0.48750001192092896},{"id":"https://openalex.org/keywords/encode","display_name":"ENCODE","score":0.4810999929904938},{"id":"https://openalex.org/keywords/structural-similarity","display_name":"Structural similarity","score":0.4733000099658966},{"id":"https://openalex.org/keywords/molecular-model","display_name":"Molecular model","score":0.4580000042915344},{"id":"https://openalex.org/keywords/domain","display_name":"Domain (mathematical analysis)","score":0.4489000141620636}],"concepts":[{"id":"https://openalex.org/C2778597219","wikidata":"https://www.wikidata.org/wiki/Q11721976","display_name":"Human serum albumin","level":2,"score":0.5763999819755554},{"id":"https://openalex.org/C71572567","wikidata":"https://www.wikidata.org/wiki/Q864231","display_name":"Bioaccumulation","level":2,"score":0.5705999732017517},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5511999726295471},{"id":"https://openalex.org/C158525013","wikidata":"https://www.wikidata.org/wiki/Q2593739","display_name":"Fusion","level":2,"score":0.5465999841690063},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5410000085830688},{"id":"https://openalex.org/C2987857752","wikidata":"https://www.wikidata.org/wiki/Q12147","display_name":"Human health","level":2,"score":0.5138000249862671},{"id":"https://openalex.org/C3020134792","wikidata":"https://www.wikidata.org/wiki/Q79749","display_name":"Human plasma","level":2,"score":0.48750001192092896},{"id":"https://openalex.org/C66746571","wikidata":"https://www.wikidata.org/wiki/Q1134833","display_name":"ENCODE","level":3,"score":0.4810999929904938},{"id":"https://openalex.org/C139489369","wikidata":"https://www.wikidata.org/wiki/Q770846","display_name":"Structural similarity","level":2,"score":0.4733000099658966},{"id":"https://openalex.org/C178910836","wikidata":"https://www.wikidata.org/wiki/Q2196961","display_name":"Molecular model","level":2,"score":0.4580000042915344},{"id":"https://openalex.org/C36503486","wikidata":"https://www.wikidata.org/wiki/Q11235244","display_name":"Domain (mathematical analysis)","level":2,"score":0.4489000141620636},{"id":"https://openalex.org/C3018795828","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Binding affinities","level":3,"score":0.4009000062942505},{"id":"https://openalex.org/C67407626","wikidata":"https://www.wikidata.org/wiki/Q5723218","display_name":"Amphiphile","level":4,"score":0.38019999861717224},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3734000027179718},{"id":"https://openalex.org/C123894998","wikidata":"https://www.wikidata.org/wiki/Q425158","display_name":"Fusion protein","level":4,"score":0.34599998593330383},{"id":"https://openalex.org/C103278499","wikidata":"https://www.wikidata.org/wiki/Q254465","display_name":"Similarity (geometry)","level":3,"score":0.34209999442100525},{"id":"https://openalex.org/C164923092","wikidata":"https://www.wikidata.org/wiki/Q3705921","display_name":"Molecular descriptor","level":3,"score":0.33309999108314514},{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.31150001287460327},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.29989999532699585},{"id":"https://openalex.org/C51639874","wikidata":"https://www.wikidata.org/wiki/Q167149","display_name":"Plasma protein binding","level":2,"score":0.2935999929904938},{"id":"https://openalex.org/C2779179475","wikidata":"https://www.wikidata.org/wiki/Q3545649","display_name":"Decoy","level":3,"score":0.2784000039100647},{"id":"https://openalex.org/C33954974","wikidata":"https://www.wikidata.org/wiki/Q486494","display_name":"Sensor fusion","level":2,"score":0.275299996137619},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.27000001072883606},{"id":"https://openalex.org/C107908354","wikidata":"https://www.wikidata.org/wiki/Q4781456","display_name":"Applicability domain","level":3,"score":0.2639999985694885},{"id":"https://openalex.org/C2777212361","wikidata":"https://www.wikidata.org/wiki/Q5127848","display_name":"Class (philosophy)","level":2,"score":0.25029999017715454}],"mesh":[{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001798","descriptor_name":"Blood Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D001798","descriptor_name":"Blood Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D005466","descriptor_name":"Fluorocarbons","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D005466","descriptor_name":"Fluorocarbons","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.5c03060","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5c03060","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:41968914","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/41968914","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":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":56,"referenced_works":["https://openalex.org/W1970016764","https://openalex.org/W1974828111","https://openalex.org/W1989363059","https://openalex.org/W2034705752","https://openalex.org/W2060531713","https://openalex.org/W2065382687","https://openalex.org/W2099071242","https://openalex.org/W2153464267","https://openalex.org/W2256718420","https://openalex.org/W2263492392","https://openalex.org/W2331805178","https://openalex.org/W2750612244","https://openalex.org/W2755026528","https://openalex.org/W2892846700","https://openalex.org/W2913583726","https://openalex.org/W2936070933","https://openalex.org/W2968734407","https://openalex.org/W2982362436","https://openalex.org/W2996396622","https://openalex.org/W3026236847","https://openalex.org/W3086460134","https://openalex.org/W3095617312","https://openalex.org/W3096410258","https://openalex.org/W3139236016","https://openalex.org/W3154073756","https://openalex.org/W3197518040","https://openalex.org/W3208559672","https://openalex.org/W4210879947","https://openalex.org/W4214868967","https://openalex.org/W4229032789","https://openalex.org/W4281383202","https://openalex.org/W4293372980","https://openalex.org/W4293416771","https://openalex.org/W4307227156","https://openalex.org/W4321227311","https://openalex.org/W4376604205","https://openalex.org/W4381679608","https://openalex.org/W4387216498","https://openalex.org/W4388191982","https://openalex.org/W4388681396","https://openalex.org/W4388845139","https://openalex.org/W4390537727","https://openalex.org/W4390616882","https://openalex.org/W4391996674","https://openalex.org/W4394770110","https://openalex.org/W4402434829","https://openalex.org/W4402626078","https://openalex.org/W4403967299","https://openalex.org/W4407181078","https://openalex.org/W4408314814","https://openalex.org/W4409350064","https://openalex.org/W4409982564","https://openalex.org/W4409989438","https://openalex.org/W4410515778","https://openalex.org/W4412659725","https://openalex.org/W4413094352"],"related_works":[],"abstract_inverted_index":{"Per-":[0],"and":[1,8,25,37,60,72,133],"polyfluoroalkyl":[2],"substances":[3],"(PFAS)":[4],"constitute":[5],"a":[6,122],"large":[7],"structurally":[9],"diverse":[10],"class":[11],"of":[12,54,92,179],"man-made":[13],"chemicals.":[14],"Their":[15],"strong":[16],"carbon-fluorine":[17],"(C-F)":[18],"bonds":[19],"confer":[20],"high":[21,87],"environmental":[22],"persistence,":[23],"bioaccumulation,":[24],"various":[26],"associated":[27],"toxicities.":[28],"As":[29],"amphiphilic":[30],"compounds,":[31],"most":[32],"PFAS":[33,59,78,172,183],"bind":[34],"to":[35,110,136,169,188],"proteins":[36,61],"accumulate":[38],"in":[39,66,181],"protein-rich":[40],"tissues,":[41],"with":[42,142,184],"such":[43,83],"bioaccumulation":[44,79],"exerting":[45],"significant":[46],"adverse":[47],"impacts":[48],"on":[49,103,116],"human":[50,189],"health.":[51],"Accurate":[52],"evaluation":[53],"the":[55,113,143,149,177],"binding":[56,186],"status":[57],"between":[58],"constitutes":[62],"an":[63],"essential":[64],"step":[65],"health":[67],"risk":[68],"assessment.":[69],"Traditional":[70],"experiments":[71],"certain":[73],"modeling":[74],"approaches":[75],"for":[76],"analyzing":[77],"suffer":[80],"from":[81],"drawbacks":[82],"as":[84],"time-consuming":[85],"processes,":[86],"costs,":[88],"or":[89],"inadequate":[90],"capture":[91],"molecular":[93,105,131,134,159],"structural":[94,114],"information,":[95],"while":[96],"existing":[97],"machine":[98],"learning-based":[99],"prediction":[100],"methods":[101],"rely":[102],"single":[104],"representation,":[106],"making":[107],"it":[108],"difficult":[109],"comprehensively":[111],"encode":[112],"information":[115],"PFAS.":[117],"Here,":[118],"we":[119],"propose":[120],"MURNet,":[121],"multirepresentation":[123,154],"fusion":[124,155],"network":[125],"model":[126],"integrating":[127],"chemical":[128],"descriptors,":[129],"2D":[130],"graphs,":[132],"fingerprints":[135],"predict":[137,171],"PFAS-plasma":[138],"protein":[139],"binding.":[140],"Compared":[141],"state-of-the-art":[144],"baseline":[145],"models,":[146],"MURNet":[147,180],"achieves":[148],"optimal":[150],"comprehensive":[151],"performance.":[152],"The":[153],"strategy":[156],"generates":[157],"higher-quality":[158],"features.":[160],"Tanimoto":[161],"similarity":[162],"applicability":[163],"domain":[164],"analysis":[165],"demonstrates":[166],"MURNet's":[167],"capability":[168],"reliably":[170],"homologues.":[173],"Case":[174],"studies":[175],"reveal":[176],"effectiveness":[178],"screening":[182],"potential":[185],"affinity":[187],"serum":[190],"albumin":[191],"(HSA).":[192]},"counts_by_year":[],"updated_date":"2026-04-28T06:04:28.489925","created_date":"2026-04-14T00:00:00"}
