{"id":"W4414777758","doi":"10.1038/s41564-025-02142-0","title":"Discovery and artificial intelligence-guided mechanistic elucidation of a narrow-spectrum antibiotic","year":2025,"lang":"en","type":"article","venue":"Nature Microbiology","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":9,"is_retracted":false,"has_abstract":false,"ca_institutions":"McMaster University Medical Centre; Population Health Research Institute; McMaster University","funders":"Canadian Institutes of Health Research; Natural Sciences and Engineering Research Council of Canada; Government of Canada","keywords":"Antibiotics; Polymyxin; Escherichia coli; Bacterial outer membrane; Microbiome; Dysbiosis; Pathogen; Antibacterial activity; Enterobacteriaceae; Drug resistance","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003926398,0.0001400686,0.0002535354,0.0002867463,0.00006883589,0.00006464058,0.0004525509,0.0002454644,0.000004186984],"category_scores_gemma":[0.0002498452,0.0001288452,0.00005780786,0.0005720083,0.0001228191,0.0002045671,0.0003019054,0.0003016619,0.000004601518],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000473038,"about_ca_system_score_gemma":0.000156997,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001535399,"about_ca_topic_score_gemma":0.00002664089,"domain_scores_codex":[0.99876,0.0002084002,0.0003385389,0.0004396934,0.00005757176,0.0001957317],"domain_scores_gemma":[0.9990295,0.0004511085,0.000124192,0.0002931798,0.00008098717,0.00002105034],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00001723474,0.00004252101,0.00004887954,0.00003523086,0.00002375728,0.000003070856,0.00008819839,0.0004218015,0.1932929,0.7939425,0.0002348646,0.011849],"study_design_scores_gemma":[0.0001098589,0.00009632959,0.0009409315,0.00005766049,0.0000208801,0.00006920036,0.00003898468,0.02155529,0.5593864,0.4170825,0.0004528327,0.0001891706],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.157516,0.0008459928,0.8376364,0.002420932,0.001031192,0.0001794489,0.00001820952,0.0000443666,0.0003074762],"genre_scores_gemma":[0.9738338,0.00001081148,0.02553451,0.0004890094,0.00003343289,0.000001789559,0.0000242342,0.000004487697,0.00006792401],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.8163179,"threshold_uncertainty_score":0.5254155,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01386542210467854,"score_gpt":0.3078075125230418,"score_spread":0.2939420904183632,"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."}}