{"id":"W4291396330","doi":"10.1016/j.mib.2022.102190","title":"A brief guide to machine learning for antibiotic discovery","year":2022,"lang":"en","type":"review","venue":"Current Opinion in Microbiology","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":39,"is_retracted":false,"has_abstract":false,"ca_institutions":"McMaster University","funders":"Weston Family Foundation","keywords":"Antibiotics; Artificial intelligence; Machine learning; Computer science; Process (computing); Quality (philosophy); Biology; Data science; Microbiology","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":[0.001339234,0.00208416,0.002100825,0.005056603,0.0004191402,0.002133104,0.001977149,0.002369354,0.01517887],"category_scores_gemma":[0.003717022,0.000606186,0.0009413908,0.005538568,0.001285359,0.003041873,0.001142341,0.005441953,0.01316948],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001242557,"about_ca_system_score_gemma":0.002090132,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002427333,"about_ca_topic_score_gemma":0.004845713,"domain_scores_codex":[0.9993892,0.0001518542,0.00009811101,0.00009609563,0.000227168,0.00003753446],"domain_scores_gemma":[0.9973054,0.001890043,0.0001782071,0.00007511933,0.0004182438,0.0001329552],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"not_applicable","study_design_scores_codex":[0.00005622381,0.0001297586,0.0001070408,0.01322409,0.00009078586,0.0001298402,0.00005315336,0.0009185404,0.001036971,0.01407588,0.3087427,0.6614349],"study_design_scores_gemma":[0.00002042514,0.0000768325,0.0003134244,0.00323215,0.00003932282,0.0002815664,0.00001798415,0.0004969159,0.000172448,0.01046255,0.9848589,0.00002731973],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"review","genre_gemma":"review","genre_scores_codex":[0.000063885,0.9851074,0.004626854,0.002068486,0.002723418,0.00004124246,0.000238604,0.0001446207,0.004985517],"genre_scores_gemma":[0.0005927545,0.9801578,0.005844896,0.002628735,0.003633381,0.00008340604,0.0003324281,0.00004626362,0.006680283],"genre_candidate":"review","genre_consensus":"review","teacher_disagreement_score":0.01517887,"threshold_uncertainty_score":0.05077833,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1122332308738515,"score_gpt":0.4340106860190117,"score_spread":0.3217774551451602,"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."}}