{"id":"W2039318280","doi":"10.1016/j.jmb.2007.01.008","title":"Structural Insights into the Non-additivity Effects in the Sequence-to-Reactivity Algorithm for Serine Peptidases and their Inhibitors","year":2007,"lang":"en","type":"article","venue":"Journal of Molecular Biology","topic":"Peptidase Inhibition and Analysis","field":"Medicine","cited_by":13,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Alberta","funders":"","keywords":"Steric effects; Chemistry; Stereochemistry; Serine; Reactivity (psychology); Additive function; Resolution (logic); Enzyme; Biochemistry","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0008491413,0.0001483516,0.0003401774,0.0002195244,0.00008988196,0.00001579587,0.0001083257,0.00009368118,0.000003408161],"category_scores_gemma":[0.0003030609,0.00006777505,0.0001823358,0.0002663674,0.0001562323,0.00005563903,0.00003677842,0.0003128388,7.094015e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000520661,"about_ca_system_score_gemma":0.00005532052,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00005330511,"about_ca_topic_score_gemma":0.00009637372,"domain_scores_codex":[0.999042,0.00018569,0.0003080847,0.0001458079,0.000118877,0.0001994873],"domain_scores_gemma":[0.9989088,0.0005120178,0.0001888189,0.0001495555,0.0001377942,0.0001029741],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0001382543,0.00007370654,0.001034914,0.00002689804,0.00009048166,0.0002390151,0.001285506,0.000005318708,0.918654,0.0001084101,0.00008302565,0.07826045],"study_design_scores_gemma":[0.004732906,0.00316472,0.08378325,0.000572213,0.0001886663,0.001589254,0.002062683,0.001890877,0.8919111,0.007038097,0.002723356,0.0003428423],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9686499,0.0002562807,0.02865812,0.002026854,0.00005984388,0.0003047039,0.000006002097,0.000003892752,0.00003445744],"genre_scores_gemma":[0.9958189,0.00001962161,0.001816853,0.002039462,0.0002728051,0.000007916624,0.00001105035,0.000008274465,0.000005190515],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.08274835,"threshold_uncertainty_score":0.2763786,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01060939335658661,"score_gpt":0.3016346798136957,"score_spread":0.2910252864571091,"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."}}