{"id":"https://openalex.org/W4390126076","doi":"https://doi.org/10.1021/acs.jcim.3c01881","title":"Multi-CGAN: Deep Generative Model-Based Multiproperty Antimicrobial Peptide Design","display_name":"Multi-CGAN: Deep Generative Model-Based Multiproperty Antimicrobial Peptide Design","publication_year":2023,"publication_date":"2023-12-22","ids":{"openalex":"https://openalex.org/W4390126076","doi":"https://doi.org/10.1021/acs.jcim.3c01881","pmid":"https://pubmed.ncbi.nlm.nih.gov/38135439"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.3c01881","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c01881","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/A5054653089","display_name":"Haoqing Yu","orcid":"https://orcid.org/0009-0009-9679-2084"},"institutions":[{"id":"https://openalex.org/I154099455","display_name":"Shandong University","ror":"https://ror.org/0207yh398","country_code":"CN","type":"education","lineage":["https://openalex.org/I154099455"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Haoqing Yu","raw_affiliation_strings":["Joint SDU-NTU Centre for Artificial Intelligence Research (C-FAIR), Shandong University, Jinan 250101, China","School of Software, Shandong University, Jinan 250101, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Joint SDU-NTU Centre for Artificial Intelligence Research (C-FAIR), Shandong University, Jinan 250101, China","institution_ids":["https://openalex.org/I154099455"]},{"raw_affiliation_string":"School of Software, Shandong University, Jinan 250101, China","institution_ids":["https://openalex.org/I154099455"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5020558163","display_name":"Ruheng Wang","orcid":"https://orcid.org/0009-0003-8393-1387"},"institutions":[{"id":"https://openalex.org/I154099455","display_name":"Shandong University","ror":"https://ror.org/0207yh398","country_code":"CN","type":"education","lineage":["https://openalex.org/I154099455"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Ruheng Wang","raw_affiliation_strings":["Joint SDU-NTU Centre for Artificial Intelligence Research (C-FAIR), Shandong University, Jinan 250101, China","School of Software, Shandong University, Jinan 250101, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Joint SDU-NTU Centre for Artificial Intelligence Research (C-FAIR), Shandong University, Jinan 250101, China","institution_ids":["https://openalex.org/I154099455"]},{"raw_affiliation_string":"School of Software, Shandong University, Jinan 250101, China","institution_ids":["https://openalex.org/I154099455"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5081660906","display_name":"Jianbo Qiao","orcid":"https://orcid.org/0009-0006-8817-9237"},"institutions":[{"id":"https://openalex.org/I154099455","display_name":"Shandong University","ror":"https://ror.org/0207yh398","country_code":"CN","type":"education","lineage":["https://openalex.org/I154099455"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jianbo Qiao","raw_affiliation_strings":["Joint SDU-NTU Centre for Artificial Intelligence Research (C-FAIR), Shandong University, Jinan 250101, China","School of Software, Shandong University, Jinan 250101, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Joint SDU-NTU Centre for Artificial Intelligence Research (C-FAIR), Shandong University, Jinan 250101, China","institution_ids":["https://openalex.org/I154099455"]},{"raw_affiliation_string":"School of Software, Shandong University, Jinan 250101, China","institution_ids":["https://openalex.org/I154099455"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5033232360","display_name":"Leyi Wei","orcid":"https://orcid.org/0000-0003-1444-190X"},"institutions":[{"id":"https://openalex.org/I154099455","display_name":"Shandong University","ror":"https://ror.org/0207yh398","country_code":"CN","type":"education","lineage":["https://openalex.org/I154099455"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Leyi Wei","raw_affiliation_strings":["Joint SDU-NTU Centre for Artificial Intelligence Research (C-FAIR), Shandong University, Jinan 250101, China","School of Software, Shandong University, Jinan 250101, China"],"raw_orcid":"https://orcid.org/0000-0003-1444-190X","affiliations":[{"raw_affiliation_string":"Joint SDU-NTU Centre for Artificial Intelligence Research (C-FAIR), Shandong University, Jinan 250101, China","institution_ids":["https://openalex.org/I154099455"]},{"raw_affiliation_string":"School of Software, Shandong University, Jinan 250101, China","institution_ids":["https://openalex.org/I154099455"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5033232360"],"corresponding_institution_ids":["https://openalex.org/I154099455"],"apc_list":null,"apc_paid":null,"fwci":6.2943,"has_fulltext":false,"cited_by_count":37,"citation_normalized_percentile":{"value":0.97535026,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":98,"max":100},"biblio":{"volume":"64","issue":"1","first_page":"316","last_page":"326"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11103","display_name":"Antimicrobial Peptides and Activities","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/2404","display_name":"Microbiology"},"field":{"id":"https://openalex.org/fields/24","display_name":"Immunology and Microbiology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T11103","display_name":"Antimicrobial Peptides and Activities","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/2404","display_name":"Microbiology"},"field":{"id":"https://openalex.org/fields/24","display_name":"Immunology and Microbiology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T13326","display_name":"Biochemical and Structural Characterization","score":0.9968000054359436,"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/T12576","display_name":"vaccines and immunoinformatics approaches","score":0.9825000166893005,"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/antimicrobial","display_name":"Antimicrobial","score":0.6695114970207214},{"id":"https://openalex.org/keywords/antimicrobial-peptides","display_name":"Antimicrobial peptides","score":0.642432451248169},{"id":"https://openalex.org/keywords/peptide","display_name":"Peptide","score":0.6244530081748962},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5656179189682007},{"id":"https://openalex.org/keywords/deep-learning","display_name":"Deep learning","score":0.5583893060684204},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.5477256178855896},{"id":"https://openalex.org/keywords/training-set","display_name":"Training set","score":0.4821707606315613},{"id":"https://openalex.org/keywords/task","display_name":"Task (project management)","score":0.4563470780849457},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.450197696685791},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.42786240577697754},{"id":"https://openalex.org/keywords/generative-model","display_name":"Generative model","score":0.41315919160842896},{"id":"https://openalex.org/keywords/generative-grammar","display_name":"Generative grammar","score":0.36099618673324585},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.2916538715362549},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.16682618856430054},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.1643412709236145},{"id":"https://openalex.org/keywords/microbiology","display_name":"Microbiology","score":0.06409084796905518}],"concepts":[{"id":"https://openalex.org/C4937899","wikidata":"https://www.wikidata.org/wiki/Q68541106","display_name":"Antimicrobial","level":2,"score":0.6695114970207214},{"id":"https://openalex.org/C540938839","wikidata":"https://www.wikidata.org/wiki/Q1201508","display_name":"Antimicrobial peptides","level":3,"score":0.642432451248169},{"id":"https://openalex.org/C2779281246","wikidata":"https://www.wikidata.org/wiki/Q172847","display_name":"Peptide","level":2,"score":0.6244530081748962},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5656179189682007},{"id":"https://openalex.org/C108583219","wikidata":"https://www.wikidata.org/wiki/Q197536","display_name":"Deep learning","level":2,"score":0.5583893060684204},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.5477256178855896},{"id":"https://openalex.org/C51632099","wikidata":"https://www.wikidata.org/wiki/Q3985153","display_name":"Training set","level":2,"score":0.4821707606315613},{"id":"https://openalex.org/C2780451532","wikidata":"https://www.wikidata.org/wiki/Q759676","display_name":"Task (project management)","level":2,"score":0.4563470780849457},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.450197696685791},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.42786240577697754},{"id":"https://openalex.org/C167966045","wikidata":"https://www.wikidata.org/wiki/Q5532625","display_name":"Generative model","level":3,"score":0.41315919160842896},{"id":"https://openalex.org/C39890363","wikidata":"https://www.wikidata.org/wiki/Q36108","display_name":"Generative grammar","level":2,"score":0.36099618673324585},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2916538715362549},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.16682618856430054},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.1643412709236145},{"id":"https://openalex.org/C89423630","wikidata":"https://www.wikidata.org/wiki/Q7193","display_name":"Microbiology","level":1,"score":0.06409084796905518},{"id":"https://openalex.org/C201995342","wikidata":"https://www.wikidata.org/wiki/Q682496","display_name":"Systems engineering","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":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000089882","descriptor_name":"Antimicrobial Peptides","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000089882","descriptor_name":"Antimicrobial Peptides","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000089882","descriptor_name":"Antimicrobial Peptides","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000089882","descriptor_name":"Antimicrobial Peptides","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":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.3c01881","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c01881","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:38135439","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/38135439","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":[{"display_name":"Good health and well-being","score":0.4099999964237213,"id":"https://metadata.un.org/sdg/3"}],"awards":[{"id":"https://openalex.org/G2833016204","display_name":"\u57fa\u4e8e\u4eba\u5de5\u667a\u80fd\u7684\u591a\u80bd\u836f\u7269\u8bc6\u522b\u4e0e\u5206\u6790\u65b9\u6cd5\u7814\u7a76","funder_award_id":"62071278","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G6446245973","display_name":null,"funder_award_id":"62250028","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"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":39,"referenced_works":["https://openalex.org/W1487871178","https://openalex.org/W1931581539","https://openalex.org/W2076860935","https://openalex.org/W2079295573","https://openalex.org/W2097099115","https://openalex.org/W2131275757","https://openalex.org/W2133603290","https://openalex.org/W2141920771","https://openalex.org/W2160780417","https://openalex.org/W2163316049","https://openalex.org/W2166637863","https://openalex.org/W2399821848","https://openalex.org/W2779119857","https://openalex.org/W2784920021","https://openalex.org/W2807596407","https://openalex.org/W2809283005","https://openalex.org/W2809827657","https://openalex.org/W2884849385","https://openalex.org/W2953700661","https://openalex.org/W2964183478","https://openalex.org/W2964268978","https://openalex.org/W2973082767","https://openalex.org/W3027325047","https://openalex.org/W3091664817","https://openalex.org/W3096831136","https://openalex.org/W3135156311","https://openalex.org/W3136918052","https://openalex.org/W3145990216","https://openalex.org/W3164453494","https://openalex.org/W3178671025","https://openalex.org/W3190730109","https://openalex.org/W4206722897","https://openalex.org/W4281294164","https://openalex.org/W4318071656","https://openalex.org/W4321003857","https://openalex.org/W4321015480","https://openalex.org/W4380792989","https://openalex.org/W4385751491","https://openalex.org/W4387940743"],"related_works":["https://openalex.org/W4365211920","https://openalex.org/W3014948380","https://openalex.org/W4380551139","https://openalex.org/W2280377497","https://openalex.org/W3174044702","https://openalex.org/W4238433571","https://openalex.org/W2967848559","https://openalex.org/W4283803360","https://openalex.org/W4317695495","https://openalex.org/W4387506531"],"abstract_inverted_index":{"Antimicrobial":[0],"peptides":[1,3,17,32,54,116,138,196],"are":[2,5,139],"that":[4,78,93,112,135,156],"effective":[6],"against":[7],"bacteria":[8],"and":[9,11,25,50,85,141,197],"viruses,":[10],"the":[12,28,118,150,157,166,179,182,186,190,198,223],"discovery":[13],"of":[14,19,30,58,103,126,146,159,185,193,201],"new":[15],"antimicrobial":[16,31,53,87,167],"is":[18,211],"great":[20],"importance":[21],"to":[22,48,149,177,213],"human":[23],"life":[24],"health.":[26],"Although":[27],"design":[29,51],"using":[33,175],"machine":[34],"learning":[35,163],"methods":[36,164],"has":[37],"achieved":[38],"good":[39,122],"results":[40],"in":[41,105,124],"recent":[42],"years,":[43],"it":[44,210],"remains":[45],"a":[46,73,99,130,143],"challenge":[47],"learn":[49,80],"novel":[52],"with":[55,63,90,117,218],"multiple":[56,91],"properties":[57,120,220],"interest":[59],"from":[60,81],"peptide":[61,83,88,168,216],"data":[62,84,180],"certain":[64],"property":[65],"labels.":[66],"To":[67],"this":[68],"end,":[69],"we":[70,94,110,154,206],"propose":[71],"Multi-CGAN,":[72],"deep":[74,162],"generative":[75],"model-based":[76],"architecture":[77],"can":[79,171],"single-attribute":[82],"generate":[86,215],"sequences":[89,217],"attributes":[92],"need,":[95],"which":[96],"may":[97],"have":[98,121,142],"potentially":[100],"wide":[101],"range":[102],"uses":[104],"drug":[106],"discovery.":[107],"In":[108,204],"particular,":[109],"verified":[111],"our":[113,136,194,202,228],"Multi-CGAN":[114,176],"generated":[115,137,195],"desired":[119],"performance":[123,158],"terms":[125],"generation":[127],"rate.":[128],"Moreover,":[129],"comprehensive":[131],"statistical":[132],"analysis":[133],"demonstrated":[134],"diverse":[140],"low":[144],"probability":[145],"being":[147],"homologous":[148],"training":[151,183],"data.":[152],"Interestingly,":[153],"found":[155],"many":[160],"popular":[161],"on":[165,181],"prediction":[169],"task":[170],"be":[172],"improved":[173],"by":[174,221],"expand":[178],"set":[184],"original":[187],"task,":[188],"indicating":[189],"high":[191],"quality":[192],"robust":[199],"ability":[200],"method.":[203],"addition,":[205],"also":[207],"investigated":[208],"whether":[209],"possible":[212],"directionally":[214],"specified":[219],"controlling":[222],"input":[224],"noise":[225],"sampling":[226],"for":[227],"model.":[229]},"counts_by_year":[{"year":2026,"cited_by_count":14},{"year":2025,"cited_by_count":18},{"year":2024,"cited_by_count":5}],"updated_date":"2026-06-16T09:24:06.705377","created_date":"2025-10-10T00:00:00"}
