{"id":"W3022117139","doi":"10.1016/j.str.2020.04.003","title":"Computational Modeling of Protein Stability: Quantitative Analysis Reveals Solutions to Pervasive Problems","year":2020,"lang":"en","type":"article","venue":"Structure","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":64,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Waterloo","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Stability (learning theory); Metric (unit); Computer science; Artificial neural network; Mutation; Artificial intelligence; Machine learning; Simple (philosophy); Biology; Genetics; Gene; Engineering","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":[0.001651426,0.0005062406,0.0007107503,0.000572289,0.0004617865,0.001006429,0.001251917,0.0009261201,0.0006748452],"category_scores_gemma":[0.007060127,0.00041369,0.0004954696,0.0004355226,0.001060639,0.001429662,0.0006857315,0.0009685673,0.00009768512],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008772776,"about_ca_system_score_gemma":0.00112827,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003101653,"about_ca_topic_score_gemma":0.002954291,"domain_scores_codex":[0.9996538,0.0001613214,0.00001381439,0.0000644769,0.00007982729,0.00002670311],"domain_scores_gemma":[0.9977598,0.001548784,0.0001881969,0.0002538802,0.0001799171,0.00006932819],"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":[0.0000405718,0.00004420168,0.001543433,0.00004354965,0.00003338702,0.00002097603,0.00004210014,0.9583864,0.00217082,0.03112629,0.0003618802,0.006186482],"study_design_scores_gemma":[0.000002411918,0.000004139456,0.0001339041,0.000001264641,0.000002511689,0.000002590408,0.000003564264,0.9914091,0.0002325843,0.0081566,0.00004957151,0.000001824938],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.447738,0.0006788392,0.5451962,0.001449427,0.00005085388,0.00002698942,0.0001824476,0.0003919952,0.004285213],"genre_scores_gemma":[0.9795177,0.0001994752,0.01966134,0.00004602005,0.00002457696,0.00003276695,0.00007212666,0.00007403495,0.000372064],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.003101653,"threshold_uncertainty_score":0.00873363,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0268003523200439,"score_gpt":0.26670063152972,"score_spread":0.239900279209676,"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."}}