{"id":"W7116926340","doi":"10.1021/acs.jcim.5c01992","title":"Design of Highly Potent Antibiofilm, Antimicrobial Peptides Using Explainable Artificial Intelligence","year":2025,"lang":"en","type":"article","venue":"Journal of Chemical Information and Modeling","topic":"Antimicrobial Peptides and Activities","field":"Immunology and Microbiology","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"Institute of Infection and Immunity; University of British Columbia","funders":"Canadian Institutes of Health Research; University of British Columbia; Ministère de l'Education Nationale, de l'Enseignement Superieur et de la Recherche; Université de Strasbourg","keywords":"Rational design; Pipeline (software); Antimicrobial peptides; Peptide; Limiting; Autoencoder; Chemical space","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003274241,0.0005674036,0.0004622045,0.0002102486,0.0001244588,0.0006013861,0.0003837223,0.0005392663,0.0005411928],"category_scores_gemma":[0.0005603731,0.0003018303,0.0006284143,0.0001867719,0.0003306608,0.0006538679,0.0005843382,0.000728731,0.0001919092],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000312309,"about_ca_system_score_gemma":0.0004326191,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002630175,"about_ca_topic_score_gemma":0.0004113614,"domain_scores_codex":[0.9998882,0.0000208371,0.00000777485,0.00003089581,0.00003697205,0.00001541724],"domain_scores_gemma":[0.9998909,0.00004577397,0.00002862272,0.00001129434,0.00001450263,0.000008905531],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00009104862,0.0001192105,0.0008378974,0.0004645364,0.00006488417,0.0003161341,0.00006456597,0.6852476,0.2302726,0.01212168,0.0004184156,0.06998135],"study_design_scores_gemma":[0.0000255419,0.0004714357,0.0002595216,0.00001758135,0.00002715542,0.0001130777,0.00001880915,0.9461287,0.04545295,0.00430042,0.003161445,0.00002339573],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.2247619,0.00218321,0.7673078,0.0003424464,0.00006179795,0.0001567563,0.000200058,0.0005512258,0.004434725],"genre_scores_gemma":[0.7318378,0.002537753,0.2630143,0.0001999096,0.00003094723,0.000283616,0.000376202,0.0000759028,0.001643432],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.0006013861,"threshold_uncertainty_score":0.00226599,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04042281080612997,"score_gpt":0.2690691269145881,"score_spread":0.2286463161084581,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}