{"id":"W4309768142","doi":"10.1093/nar/gkac1075","title":"ClusterCAD 2.0: an updated computational platform for chimeric type I polyketide synthase and nonribosomal peptide synthetase design","year":2022,"lang":"en","type":"article","venue":"Nucleic Acids Research","topic":"Microbial Natural Products and Biosynthesis","field":"Medicine","cited_by":31,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Office of Energy Efficiency; Biological and Environmental Research; U.S. Department of Energy; Philomathia Foundation; Office of Energy Efficiency and Renewable Energy; Office of Science; Novo Nordisk Fonden","keywords":"Nonribosomal peptide; Biology; Polyketide synthase; Polyketide; Peptide; Genetics; Computational biology; Enzyme; Biochemistry; Biosynthesis","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001657637,0.001972125,0.001859733,0.0007351548,0.0008358338,0.001748914,0.004223586,0.001365203,0.02350963],"category_scores_gemma":[0.003063583,0.0009786013,0.001862178,0.0009952551,0.0005364065,0.001341084,0.001731192,0.002278847,0.004897984],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001468962,"about_ca_system_score_gemma":0.004101967,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.009792454,"about_ca_topic_score_gemma":0.01563734,"domain_scores_codex":[0.9996392,0.00008488438,0.0000218961,0.00007029717,0.0001167891,0.00006694619],"domain_scores_gemma":[0.9993037,0.0003881337,0.00002415548,0.00005319006,0.000128642,0.0001020842],"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":[0.002471515,0.0004652664,0.005371943,0.004659042,0.001072636,0.001036707,0.0007748356,0.4219842,0.01792618,0.07670134,0.344515,0.1230212],"study_design_scores_gemma":[0.001215265,0.0001893377,0.0008991655,0.0001577294,0.0001860532,0.000185801,0.0001675257,0.7862452,0.00873095,0.02515266,0.1767389,0.0001314467],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"software","genre_scores_codex":[0.1008551,0.004044968,0.5597932,0.003011514,0.001264918,0.001033501,0.0679832,0.1896965,0.07231706],"genre_scores_gemma":[0.2483002,0.003091103,0.5868262,0.001576096,0.0001468889,0.003808887,0.1078304,0.03214653,0.01627364],"genre_candidate":"software","genre_consensus":null,"teacher_disagreement_score":0.02350963,"threshold_uncertainty_score":0.07864749,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.07864336328371492,"score_gpt":0.3509475329119478,"score_spread":0.2723041696282329,"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."}}