{"id":"W2161365787","doi":"10.1002/cphc.201000774","title":"A Simple Model for Barrier Frequencies for Enzymatic Reactions","year":2010,"lang":"en","type":"article","venue":"ChemPhysChem","topic":"Photosynthetic Processes and Mechanisms","field":"Biochemistry, Genetics and Molecular Biology","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"Canadian Nautical Research Society","funders":"Division of Chemistry; National Science Foundation","keywords":"Chemistry; Reaction rate; Chemical physics; Reaction rate constant; Enzyme catalysis; Computational chemistry; Simple (philosophy); Chemical reaction; Activation energy; Thermodynamics; Molecular dynamics; Inverse; Reaction mechanism; Biological system; Enzyme; Physical chemistry; Kinetics; Catalysis; Organic chemistry; Classical mechanics; Physics","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":[0.000509897,0.0009786427,0.001109,0.0009192178,0.001024713,0.00152461,0.002527562,0.003198288,0.008023091],"category_scores_gemma":[0.001681283,0.0005415626,0.001609135,0.0006733502,0.001163946,0.002684061,0.001006139,0.001769446,0.001892053],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001179045,"about_ca_system_score_gemma":0.001235479,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002970199,"about_ca_topic_score_gemma":0.001106647,"domain_scores_codex":[0.9996986,0.00005922825,0.00001451244,0.00006424618,0.00009655998,0.000066859],"domain_scores_gemma":[0.9995342,0.0002050729,0.00004179516,0.00007643343,0.0000712947,0.00007123673],"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":[0.00008248582,0.0001345061,0.0004858861,0.0001581299,0.00003581119,0.0004086825,0.0001745797,0.6305293,0.02382515,0.3383624,0.001378796,0.004424124],"study_design_scores_gemma":[0.00004490229,0.00003343812,0.0001535177,0.00001064345,0.00001151939,0.000121327,0.00002043078,0.9327071,0.001323331,0.06323481,0.002308668,0.00003033898],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.2139636,0.001556892,0.71235,0.002995736,0.0005779895,0.0003380739,0.0009516967,0.001064148,0.06620193],"genre_scores_gemma":[0.9075759,0.001212352,0.05558786,0.000468607,0.0001354014,0.0007784223,0.0003641501,0.0003541496,0.03352321],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.008023091,"threshold_uncertainty_score":0.02683991,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0168372862799803,"score_gpt":0.266808844357814,"score_spread":0.2499715580778337,"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."}}