{"id":"https://openalex.org/W7116926340","doi":"https://doi.org/10.1021/acs.jcim.5c01992","title":"Design of Highly Potent Antibiofilm, Antimicrobial Peptides Using Explainable Artificial Intelligence","display_name":"Design of Highly Potent Antibiofilm, Antimicrobial Peptides Using Explainable Artificial Intelligence","publication_year":2025,"publication_date":"2025-12-23","ids":{"openalex":"https://openalex.org/W7116926340","doi":"https://doi.org/10.1021/acs.jcim.5c01992","pmid":"https://pubmed.ncbi.nlm.nih.gov/41432371"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.5c01992","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5c01992","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/A5037744275","display_name":"Karina Pikalyova","orcid":null},"institutions":[{"id":"https://openalex.org/I4210161783","display_name":"GeoInformation (United Kingdom)","ror":"https://ror.org/05t4zqc79","country_code":"GB","type":"company","lineage":["https://openalex.org/I4210161783"]},{"id":"https://openalex.org/I68947357","display_name":"Universit\u00e9 de Strasbourg","ror":"https://ror.org/00pg6eq24","country_code":"FR","type":"education","lineage":["https://openalex.org/I68947357"]}],"countries":["FR","GB"],"is_corresponding":false,"raw_author_name":"Karina Pikalyova","raw_affiliation_strings":["Laboratory of Chemoinformatics","University of Strasbourg"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Chemoinformatics","institution_ids":["https://openalex.org/I4210161783"]},{"raw_affiliation_string":"University of Strasbourg","institution_ids":["https://openalex.org/I68947357"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5025753184","display_name":"Tagir Akhmetshin","orcid":"https://orcid.org/0000-0002-2549-6431"},"institutions":[{"id":"https://openalex.org/I4210161783","display_name":"GeoInformation (United Kingdom)","ror":"https://ror.org/05t4zqc79","country_code":"GB","type":"company","lineage":["https://openalex.org/I4210161783"]},{"id":"https://openalex.org/I68947357","display_name":"Universit\u00e9 de Strasbourg","ror":"https://ror.org/00pg6eq24","country_code":"FR","type":"education","lineage":["https://openalex.org/I68947357"]}],"countries":["FR","GB"],"is_corresponding":false,"raw_author_name":"Tagir Akhmetshin","raw_affiliation_strings":["Laboratory of Chemoinformatics","University of Strasbourg"],"raw_orcid":"https://orcid.org/0000-0002-2549-6431","affiliations":[{"raw_affiliation_string":"Laboratory of Chemoinformatics","institution_ids":["https://openalex.org/I4210161783"]},{"raw_affiliation_string":"University of Strasbourg","institution_ids":["https://openalex.org/I68947357"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5069625039","display_name":"Alexey A. Orlov","orcid":"https://orcid.org/0000-0002-0597-7705"},"institutions":[{"id":"https://openalex.org/I4210161783","display_name":"GeoInformation (United Kingdom)","ror":"https://ror.org/05t4zqc79","country_code":"GB","type":"company","lineage":["https://openalex.org/I4210161783"]},{"id":"https://openalex.org/I68947357","display_name":"Universit\u00e9 de Strasbourg","ror":"https://ror.org/00pg6eq24","country_code":"FR","type":"education","lineage":["https://openalex.org/I68947357"]}],"countries":["FR","GB"],"is_corresponding":false,"raw_author_name":"Alexey Orlov","raw_affiliation_strings":["Laboratory of Chemoinformatics","University of Strasbourg"],"raw_orcid":"https://orcid.org/0000-0002-0597-7705","affiliations":[{"raw_affiliation_string":"Laboratory of Chemoinformatics","institution_ids":["https://openalex.org/I4210161783"]},{"raw_affiliation_string":"University of Strasbourg","institution_ids":["https://openalex.org/I68947357"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5053329777","display_name":"Evan F. Haney","orcid":"https://orcid.org/0000-0003-3645-770X"},"institutions":[{"id":"https://openalex.org/I141945490","display_name":"University of British Columbia","ror":"https://ror.org/03rmrcq20","country_code":"CA","type":"education","lineage":["https://openalex.org/I141945490"]},{"id":"https://openalex.org/I4210165024","display_name":"Institute of Infection and Immunity","ror":"https://ror.org/05wdecy17","country_code":"CA","type":"facility","lineage":["https://openalex.org/I176337269","https://openalex.org/I4210165024"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Evan F. Haney","raw_affiliation_strings":["Centre for Microbial Diseases and Immunity Research, Department of Microbiology and Immunology","University of British Columbia"],"raw_orcid":"https://orcid.org/0000-0003-3645-770X","affiliations":[{"raw_affiliation_string":"Centre for Microbial Diseases and Immunity Research, Department of Microbiology and Immunology","institution_ids":["https://openalex.org/I4210165024"]},{"raw_affiliation_string":"University of British Columbia","institution_ids":["https://openalex.org/I141945490"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5080264832","display_name":"Noushin Akhoundsadegh","orcid":null},"institutions":[{"id":"https://openalex.org/I141945490","display_name":"University of British Columbia","ror":"https://ror.org/03rmrcq20","country_code":"CA","type":"education","lineage":["https://openalex.org/I141945490"]},{"id":"https://openalex.org/I4210165024","display_name":"Institute of Infection and Immunity","ror":"https://ror.org/05wdecy17","country_code":"CA","type":"facility","lineage":["https://openalex.org/I176337269","https://openalex.org/I4210165024"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Noushin Akhoundsadegh","raw_affiliation_strings":["Centre for Microbial Diseases and Immunity Research, Department of Microbiology and Immunology","University of British Columbia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centre for Microbial Diseases and Immunity Research, Department of Microbiology and Immunology","institution_ids":["https://openalex.org/I4210165024"]},{"raw_affiliation_string":"University of British Columbia","institution_ids":["https://openalex.org/I141945490"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5041801495","display_name":"Jiaying You","orcid":"https://orcid.org/0000-0002-8980-7403"},"institutions":[{"id":"https://openalex.org/I141945490","display_name":"University of British Columbia","ror":"https://ror.org/03rmrcq20","country_code":"CA","type":"education","lineage":["https://openalex.org/I141945490"]},{"id":"https://openalex.org/I4210158236","display_name":"The Prostate Centre","ror":"https://ror.org/05rmt2h07","country_code":"GB","type":"healthcare","lineage":["https://openalex.org/I4210158236"]}],"countries":["CA","GB"],"is_corresponding":false,"raw_author_name":"Jiaying You","raw_affiliation_strings":["University of British Columbia","Vancouver Prostate Centre"],"raw_orcid":"https://orcid.org/0000-0002-8980-7403","affiliations":[{"raw_affiliation_string":"University of British Columbia","institution_ids":["https://openalex.org/I141945490"]},{"raw_affiliation_string":"Vancouver Prostate Centre","institution_ids":["https://openalex.org/I4210158236"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5066530115","display_name":"Robert E. W. Hancock","orcid":"https://orcid.org/0000-0001-5989-8503"},"institutions":[{"id":"https://openalex.org/I141945490","display_name":"University of British Columbia","ror":"https://ror.org/03rmrcq20","country_code":"CA","type":"education","lineage":["https://openalex.org/I141945490"]},{"id":"https://openalex.org/I4210165024","display_name":"Institute of Infection and Immunity","ror":"https://ror.org/05wdecy17","country_code":"CA","type":"facility","lineage":["https://openalex.org/I176337269","https://openalex.org/I4210165024"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Robert E. W. Hancock","raw_affiliation_strings":["Centre for Microbial Diseases and Immunity Research, Department of Microbiology and Immunology","University of British Columbia"],"raw_orcid":"https://orcid.org/0000-0001-5989-8503","affiliations":[{"raw_affiliation_string":"Centre for Microbial Diseases and Immunity Research, Department of Microbiology and Immunology","institution_ids":["https://openalex.org/I4210165024"]},{"raw_affiliation_string":"University of British Columbia","institution_ids":["https://openalex.org/I141945490"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5031667486","display_name":"Dragos Horvath","orcid":"https://orcid.org/0000-0003-0173-5714"},"institutions":[{"id":"https://openalex.org/I4210161783","display_name":"GeoInformation (United Kingdom)","ror":"https://ror.org/05t4zqc79","country_code":"GB","type":"company","lineage":["https://openalex.org/I4210161783"]},{"id":"https://openalex.org/I68947357","display_name":"Universit\u00e9 de Strasbourg","ror":"https://ror.org/00pg6eq24","country_code":"FR","type":"education","lineage":["https://openalex.org/I68947357"]}],"countries":["FR","GB"],"is_corresponding":false,"raw_author_name":"Dragos Horvath","raw_affiliation_strings":["Laboratory of Chemoinformatics","University of Strasbourg"],"raw_orcid":"https://orcid.org/0000-0003-0173-5714","affiliations":[{"raw_affiliation_string":"Laboratory of Chemoinformatics","institution_ids":["https://openalex.org/I4210161783"]},{"raw_affiliation_string":"University of Strasbourg","institution_ids":["https://openalex.org/I68947357"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5121098094","display_name":"Gilles G\u00e9rard Marcou","orcid":null},"institutions":[{"id":"https://openalex.org/I4210161783","display_name":"GeoInformation (United Kingdom)","ror":"https://ror.org/05t4zqc79","country_code":"GB","type":"company","lineage":["https://openalex.org/I4210161783"]},{"id":"https://openalex.org/I68947357","display_name":"Universit\u00e9 de Strasbourg","ror":"https://ror.org/00pg6eq24","country_code":"FR","type":"education","lineage":["https://openalex.org/I68947357"]}],"countries":["FR","GB"],"is_corresponding":false,"raw_author_name":"Gilles G\u00e9rard Marcou","raw_affiliation_strings":["Laboratory of Chemoinformatics","University of Strasbourg"],"raw_orcid":"https://orcid.org/0000-0003-1676-6708","affiliations":[{"raw_affiliation_string":"Laboratory of Chemoinformatics","institution_ids":["https://openalex.org/I4210161783"]},{"raw_affiliation_string":"University of Strasbourg","institution_ids":["https://openalex.org/I68947357"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5070580886","display_name":"Artem Cherkasov","orcid":"https://orcid.org/0000-0002-1599-1439"},"institutions":[{"id":"https://openalex.org/I141945490","display_name":"University of British Columbia","ror":"https://ror.org/03rmrcq20","country_code":"CA","type":"education","lineage":["https://openalex.org/I141945490"]},{"id":"https://openalex.org/I4210158236","display_name":"The Prostate Centre","ror":"https://ror.org/05rmt2h07","country_code":"GB","type":"healthcare","lineage":["https://openalex.org/I4210158236"]}],"countries":["CA","GB"],"is_corresponding":true,"raw_author_name":"Artem Cherkasov","raw_affiliation_strings":["University of British Columbia","Vancouver Prostate Centre"],"raw_orcid":"https://orcid.org/0000-0002-1599-1439","affiliations":[{"raw_affiliation_string":"University of British Columbia","institution_ids":["https://openalex.org/I141945490"]},{"raw_affiliation_string":"Vancouver Prostate Centre","institution_ids":["https://openalex.org/I4210158236"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5121074607","display_name":"Alexandre Varnek","orcid":null},"institutions":[{"id":"https://openalex.org/I4210161783","display_name":"GeoInformation (United Kingdom)","ror":"https://ror.org/05t4zqc79","country_code":"GB","type":"company","lineage":["https://openalex.org/I4210161783"]},{"id":"https://openalex.org/I68947357","display_name":"Universit\u00e9 de Strasbourg","ror":"https://ror.org/00pg6eq24","country_code":"FR","type":"education","lineage":["https://openalex.org/I68947357"]}],"countries":["FR","GB"],"is_corresponding":true,"raw_author_name":"Alexandre Varnek","raw_affiliation_strings":["Laboratory of Chemoinformatics","University of Strasbourg"],"raw_orcid":"https://orcid.org/0000-0003-1886-925X","affiliations":[{"raw_affiliation_string":"Laboratory of Chemoinformatics","institution_ids":["https://openalex.org/I4210161783"]},{"raw_affiliation_string":"University of Strasbourg","institution_ids":["https://openalex.org/I68947357"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":11,"corresponding_author_ids":["https://openalex.org/A5070580886","https://openalex.org/A5121074607"],"corresponding_institution_ids":["https://openalex.org/I141945490","https://openalex.org/I4210158236","https://openalex.org/I4210161783","https://openalex.org/I68947357"],"apc_list":null,"apc_paid":null,"fwci":2.8004,"has_fulltext":false,"cited_by_count":3,"citation_normalized_percentile":{"value":0.91987847,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":98,"max":99},"biblio":{"volume":"66","issue":"1","first_page":"744","last_page":"755"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11103","display_name":"Antimicrobial Peptides and Activities","score":0.9789000153541565,"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":0.9789000153541565,"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/T10593","display_name":"Bacterial biofilms and quorum sensing","score":0.00559999980032444,"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/T10252","display_name":"Microbial Natural Products and Biosynthesis","score":0.0024999999441206455,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/rational-design","display_name":"Rational design","score":0.6437000036239624},{"id":"https://openalex.org/keywords/pipeline","display_name":"Pipeline (software)","score":0.6305999755859375},{"id":"https://openalex.org/keywords/antimicrobial-peptides","display_name":"Antimicrobial peptides","score":0.607699990272522},{"id":"https://openalex.org/keywords/peptide","display_name":"Peptide","score":0.5454000234603882},{"id":"https://openalex.org/keywords/limiting","display_name":"Limiting","score":0.45249998569488525},{"id":"https://openalex.org/keywords/autoencoder","display_name":"Autoencoder","score":0.4316999912261963},{"id":"https://openalex.org/keywords/chemical-space","display_name":"Chemical space","score":0.3476000130176544}],"concepts":[{"id":"https://openalex.org/C53105671","wikidata":"https://www.wikidata.org/wiki/Q14777816","display_name":"Rational design","level":2,"score":0.6437000036239624},{"id":"https://openalex.org/C43521106","wikidata":"https://www.wikidata.org/wiki/Q2165493","display_name":"Pipeline (software)","level":2,"score":0.6305999755859375},{"id":"https://openalex.org/C540938839","wikidata":"https://www.wikidata.org/wiki/Q1201508","display_name":"Antimicrobial peptides","level":3,"score":0.607699990272522},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5565000176429749},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.5486000180244446},{"id":"https://openalex.org/C2779281246","wikidata":"https://www.wikidata.org/wiki/Q172847","display_name":"Peptide","level":2,"score":0.5454000234603882},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.4526999890804291},{"id":"https://openalex.org/C188198153","wikidata":"https://www.wikidata.org/wiki/Q1613840","display_name":"Limiting","level":2,"score":0.45249998569488525},{"id":"https://openalex.org/C101738243","wikidata":"https://www.wikidata.org/wiki/Q786435","display_name":"Autoencoder","level":3,"score":0.4316999912261963},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.3779999911785126},{"id":"https://openalex.org/C99726746","wikidata":"https://www.wikidata.org/wiki/Q906396","display_name":"Chemical space","level":3,"score":0.3476000130176544},{"id":"https://openalex.org/C124790011","wikidata":"https://www.wikidata.org/wiki/Q2069797","display_name":"Peptidomimetic","level":3,"score":0.34139999747276306},{"id":"https://openalex.org/C183696295","wikidata":"https://www.wikidata.org/wiki/Q2487696","display_name":"Biochemical engineering","level":1,"score":0.3269999921321869},{"id":"https://openalex.org/C111030470","wikidata":"https://www.wikidata.org/wiki/Q1430460","display_name":"Curse of dimensionality","level":2,"score":0.3237000107765198},{"id":"https://openalex.org/C4937899","wikidata":"https://www.wikidata.org/wiki/Q68541106","display_name":"Antimicrobial","level":2,"score":0.32019999623298645},{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.3188000023365021},{"id":"https://openalex.org/C2776359362","wikidata":"https://www.wikidata.org/wiki/Q2145286","display_name":"Representation (politics)","level":3,"score":0.2913999855518341},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.2874000072479248},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.27559998631477356},{"id":"https://openalex.org/C64903051","wikidata":"https://www.wikidata.org/wiki/Q2198549","display_name":"Drug development","level":3,"score":0.2678000032901764},{"id":"https://openalex.org/C191908910","wikidata":"https://www.wikidata.org/wiki/Q862838","display_name":"Synthetic biology","level":2,"score":0.2648000121116638}],"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":"D000089882","descriptor_name":"Antimicrobial Peptides","qualifier_ui":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":true},{"descriptor_ui":"D000089882","descriptor_name":"Antimicrobial Peptides","qualifier_ui":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":true},{"descriptor_ui":"D000089882","descriptor_name":"Antimicrobial Peptides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000089882","descriptor_name":"Antimicrobial Peptides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000089882","descriptor_name":"Antimicrobial Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000089882","descriptor_name":"Antimicrobial Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000900","descriptor_name":"Anti-Bacterial Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000900","descriptor_name":"Anti-Bacterial Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000900","descriptor_name":"Anti-Bacterial Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000900","descriptor_name":"Anti-Bacterial Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","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":"D008826","descriptor_name":"Microbial Sensitivity Tests","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008826","descriptor_name":"Microbial Sensitivity Tests","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D018441","descriptor_name":"Biofilms","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":true},{"descriptor_ui":"D018441","descriptor_name":"Biofilms","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":true},{"descriptor_ui":"D055624","descriptor_name":"Methicillin-Resistant Staphylococcus aureus","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D055624","descriptor_name":"Methicillin-Resistant Staphylococcus aureus","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D055624","descriptor_name":"Methicillin-Resistant Staphylococcus aureus","qualifier_ui":"Q000502","qualifier_name":"physiology","is_major_topic":false},{"descriptor_ui":"D055624","descriptor_name":"Methicillin-Resistant Staphylococcus aureus","qualifier_ui":"Q000502","qualifier_name":"physiology","is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.jcim.5c01992","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5c01992","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:41432371","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/41432371","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},{"id":"pmh:oai:HAL:hal-05565256v1","is_oa":false,"landing_page_url":"https://univoak.hal.science/hal-05565256","pdf_url":null,"source":{"id":"https://openalex.org/S4306402512","display_name":"HAL (Le Centre pour la Communication Scientifique Directe)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1294671590","host_organization_name":"Centre National de la Recherche Scientifique","host_organization_lineage":["https://openalex.org/I1294671590"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Chemical Information and Modeling, 2025, 66 (1), pp.744 - 755. &#x27E8;10.1021/acs.jcim.5c01992&#x27E9;","raw_type":"Journal articles"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G2075046989","display_name":null,"funder_award_id":"FDN-154287","funder_id":"https://openalex.org/F4320334506","funder_display_name":"Canadian Institutes of Health Research"}],"funders":[{"id":"https://openalex.org/F4320322147","display_name":"Universit\u00e9 de Strasbourg","ror":"https://ror.org/00pg6eq24"},{"id":"https://openalex.org/F4320322727","display_name":"Minist\u00e8re de l'Education Nationale, de l'Enseignement Superieur et de la Recherche","ror":"https://ror.org/03sjk9a61"},{"id":"https://openalex.org/F4320323180","display_name":"University of British Columbia","ror":"https://ror.org/03rmrcq20"},{"id":"https://openalex.org/F4320334506","display_name":"Canadian Institutes of Health Research","ror":"https://ror.org/01gavpb45"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":58,"referenced_works":["https://openalex.org/W1931581539","https://openalex.org/W1941993699","https://openalex.org/W1964747032","https://openalex.org/W1997152791","https://openalex.org/W2024342748","https://openalex.org/W2026482455","https://openalex.org/W2074988297","https://openalex.org/W2079665383","https://openalex.org/W2080614447","https://openalex.org/W2097099115","https://openalex.org/W2099071242","https://openalex.org/W2107636931","https://openalex.org/W2135622703","https://openalex.org/W2154096979","https://openalex.org/W2159861471","https://openalex.org/W2171142540","https://openalex.org/W2175270296","https://openalex.org/W2239738725","https://openalex.org/W2344149427","https://openalex.org/W2532944206","https://openalex.org/W2744758663","https://openalex.org/W2778198694","https://openalex.org/W2802224083","https://openalex.org/W2807000436","https://openalex.org/W2810794257","https://openalex.org/W2915175970","https://openalex.org/W2946458716","https://openalex.org/W2948261638","https://openalex.org/W2989135569","https://openalex.org/W2995997429","https://openalex.org/W3001892650","https://openalex.org/W3027325047","https://openalex.org/W3039860814","https://openalex.org/W3093687066","https://openalex.org/W3097405028","https://openalex.org/W3117153716","https://openalex.org/W3137064251","https://openalex.org/W3147795917","https://openalex.org/W3154086429","https://openalex.org/W3155106699","https://openalex.org/W3157420610","https://openalex.org/W3173770342","https://openalex.org/W3175863350","https://openalex.org/W3201769528","https://openalex.org/W3214681333","https://openalex.org/W4206537078","https://openalex.org/W4210887158","https://openalex.org/W4294409071","https://openalex.org/W4295755616","https://openalex.org/W4308255580","https://openalex.org/W4309506674","https://openalex.org/W4318912574","https://openalex.org/W4321124255","https://openalex.org/W4378802183","https://openalex.org/W4390700622","https://openalex.org/W4392015344","https://openalex.org/W4392037045","https://openalex.org/W4401415818"],"related_works":[],"abstract_inverted_index":{"Antimicrobial":[0],"peptides":[1,72,136,160],"have":[2],"emerged":[3],"as":[4,217],"a":[5,59,85,90,181,218],"potential":[6,244],"alternative":[7],"to":[8,39,102,139,237],"traditional":[9],"small-molecule":[10],"antimicrobials.":[11],"They":[12],"possess":[13],"broad-spectrum":[14],"efficacy":[15,157],"and":[16,54,70,89,171,239],"increasingly":[17],"confront":[18],"the":[19,25,49,63,104,108,112,115,125,129,147,159,163,189,210,228,250],"challenges":[20],"of":[21,28,44,51,68,107,117,124,131,158,202,230,249],"bacterial":[22],"resistance,":[23],"especially":[24],"adaptive":[26],"resistance":[27],"biofilms.":[29,187],"However,":[30],"advanced":[31],"rational":[32,64,247],"peptide":[33,109,193,213,232],"design":[34,67,248],"methods":[35],"are":[36],"still":[37],"required":[38],"ensure":[40],"optimal":[41],"property":[42],"profiles":[43],"such":[45],"peptides,":[46],"while":[47,111],"limiting":[48],"cost":[50],"their":[52,153],"synthesis":[53,170],"screening.":[55],"Here,":[56],"we":[57],"present":[58],"computational":[60],"pipeline":[61,165,223],"for":[62,173,227,246],"de":[65],"novo":[66],"antimicrobial":[69],"antibiofilm":[71,192,212],"based":[73,151],"on":[74,152],"an":[75,121],"explainable":[76],"artificial":[77],"intelligence":[78],"(XAI)":[79],"framework.":[80],"The":[81,98,134,156,221],"developed":[82,164,194,222],"framework":[83],"combines":[84],"Wasserstein":[86],"Autoencoder":[87],"(WAE)":[88],"nonlinear":[91],"dimensionality":[92],"reduction":[93],"method\u2500generative":[94],"topographic":[95],"mapping":[96],"(GTM).":[97],"WAE":[99],"was":[100,166],"used":[101,216],"learn":[103],"latent":[105,126],"representation":[106],"space,":[110],"GTM":[113],"guided":[114],"generation":[116],"novel":[118],"AMPs":[119],"through":[120],"illustrative":[122],"depiction":[123],"space":[127],"in":[128,146,185,195,205],"form":[130],"2D":[132],"maps.":[133],"generated":[135,161],"were":[137],"subjected":[138],"screening":[140],"by":[141,169],"machine":[142],"learning":[143],"models,":[144],"resulting":[145],"final":[148],"hit":[149,183],"list":[150],"predicted":[154],"activity.":[155],"with":[162,209],"experimentally":[167],"verified":[168],"testing":[172],"activity":[174],"against":[175],"methicillin-resistant":[176],"Staphylococcus":[177],"aureus":[178],"(MRSA),":[179],"achieving":[180],"100%":[182],"rate":[184],"targeting":[186],"Notably,":[188],"most":[190],"potent":[191,211],"this":[196],"study":[197],"demonstrated":[198],"almost":[199],"one":[200],"order":[201],"magnitude":[203],"improvement":[204],"IC50":[206],"value":[207],"compared":[208],"reference":[214],"\u201c1018\u201d,":[215],"positive":[219],"control.":[220],"is":[224],"readily":[225],"extendable":[226],"optimization":[229],"additional":[231],"properties,":[233],"including":[234],"cytotoxicity,":[235],"tendency":[236],"aggregate,":[238],"proteolytic":[240],"stability,":[241],"underscoring":[242],"its":[243],"utility":[245],"peptide-based":[251],"therapeutics.":[252]},"counts_by_year":[{"year":2026,"cited_by_count":3}],"updated_date":"2026-05-16T08:24:45.110214","created_date":"2025-12-23T00:00:00"}
