{"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":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.001928363,0.0001905914,0.0003173692,0.0003512385,0.0009253692,0.00008047057,0.0002518252,0.00008987443,0.001816232],"category_scores_gemma":[0.0004770509,0.0001607858,0.00006836526,0.0006353434,0.0002574814,0.0001775635,0.0003014095,0.0006671656,0.00004085938],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001782428,"about_ca_system_score_gemma":0.00030437,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00008826399,"about_ca_topic_score_gemma":0.000004567249,"domain_scores_codex":[0.997499,0.0002999627,0.0002998178,0.0005862173,0.0007178596,0.0005970736],"domain_scores_gemma":[0.9984992,0.0004116007,0.00006121278,0.0003548438,0.0003665074,0.0003066796],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"not_applicable","study_design_scores_codex":[0.01903817,0.001769279,0.0009921829,0.0003160894,0.000437227,0.0002926968,0.001140285,0.0007184558,0.77373,0.001190208,0.1130114,0.08736397],"study_design_scores_gemma":[0.01932624,0.03511775,0.02563957,0.0003858132,0.0008473222,0.004075408,0.007793914,0.2726983,0.2050485,0.005596766,0.4201691,0.003301239],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9933428,0.0003517789,0.0003489071,0.003672285,0.0001258704,0.001531702,0.0002441608,0.00008314929,0.0002993325],"genre_scores_gemma":[0.9827248,0.00002964311,0.01485901,0.0004633816,0.000228661,0.00002074901,0.0004824943,0.00005580928,0.001135475],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.5686815,"threshold_uncertainty_score":0.9990962,"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."}}