{"id":"W3160500753","doi":"","title":"Prediction of Antibiotic Activity against Burkholderia cenocepacia Using a Machine Learning Model","year":2021,"lang":"en","type":"article","venue":"","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Manitoba","funders":"","keywords":"Artificial intelligence; Machine learning; Computer science; Artificial neural network; Chemical space; Convolutional neural network; Drug discovery; Data mining; Bioinformatics; Biology","routes":{"ca_aff":true,"ca_fund":false,"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":[0.0005386627,0.0008714878,0.0004868678,0.0005180632,0.0001564216,0.0005315981,0.0004706822,0.000835134,0.0004391157],"category_scores_gemma":[0.001364721,0.0002793105,0.0005649942,0.0003635254,0.0002213659,0.0005098335,0.0002581799,0.0007400351,0.0001791432],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007459071,"about_ca_system_score_gemma":0.0008228716,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01016319,"about_ca_topic_score_gemma":0.008004747,"domain_scores_codex":[0.9998462,0.0000397167,0.00001108439,0.00004892879,0.00002969589,0.00002436875],"domain_scores_gemma":[0.9995711,0.000265683,0.00004973233,0.00001847982,0.00007820398,0.00001680318],"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":[0.00006005464,0.00007345379,0.00359868,0.00003031677,0.00002334772,0.00003879476,0.000007028806,0.9771194,0.004664245,0.0002020497,0.0002025963,0.01398008],"study_design_scores_gemma":[0.000001666801,0.00002098839,0.0002277672,0.000001001728,0.000002584322,0.000002617405,0.000001080583,0.9989302,0.0007135916,0.00006801938,0.00002923343,0.000001345629],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8251035,0.001107482,0.1698803,0.0005040339,0.00004715927,0.00006774531,0.0005230191,0.001106265,0.001660487],"genre_scores_gemma":[0.977975,0.0002462078,0.0205393,0.00005446604,0.00001005327,0.000040442,0.0004553319,0.00001035229,0.0006688983],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01016319,"threshold_uncertainty_score":0.02020806,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0747657826405671,"score_gpt":0.3020984548275282,"score_spread":0.2273326721869611,"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."}}